Geometry & MOs

Info

ID:	446487
PubChem CID:	135275352
Reduced:	O2N8C29H32 (1)
Stoich.:	A2B8C29D32 (1)
Weight, g/mol:	700.434407
ΔH_f, kcal/mol:	76.07
Dipole, Da:	3.61
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-(diaminomethylideneamino)hexanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=CC4=C(C=C3)N=C(N=C4NCC(=O)N5CC(C5)N(C)C)C6CN(C6)C(=O)C=C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=CC4=C(C=C3)N=C(N=C4NCC(=O)N5CC(C5)N(C)C)C6CN(C6)C(=O)C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):