Geometry & MOs

Info

ID:	191924
PubChem CID:	78202384
Reduced:	ON2S2C5H12 (1)
Stoich.:	AB2C2D5E12 (1)
Weight, g/mol:	470.248897
ΔH_f, kcal/mol:	-38.16
Dipole, Da:	3.03
IP(EA), eV:	-8.93(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpent-4-enoic acid

Drug info:

PubChemData

Smile

CNC(C(S)SC)C(=O)N

DOS

IR

Vibrations