Geometry & MOs

Info

ID:	15582
PubChem CID:	444897
Reduced:	SO3N6C25H34 (1)
Stoich.:	AB3C6D25E34 (1)
Weight, g/mol:	498.24131
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	5.46
IP(EA), eV:	-9.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(2S)-1-[[(3S)-6-(diaminomethylideneamino)-2-oxo-1-sulfanylhexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

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

C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CS)N

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

C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CS)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):