Geometry & MOs

Info

ID:	340073
PubChem CID:	127262082
Reduced:	O6N8C27H36 (1)
Stoich.:	A6B8C27D36 (1)
Weight, g/mol:	610.322731
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	8.79
IP(EA), eV:	-9.14(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitroanilino)-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

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

CC[C@H](C)[C@@H](C(=O)NCC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C2=CC=CC=C2

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

CC[C@H](C)[C@@H](C(=O)NCC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):