Geometry & MOs

Info

ID:	436397
PubChem CID:	135199851
Reduced:	N6O7C32H48 (1)
Stoich.:	A6B7C32D48 (1)
Weight, g/mol:	300.027221
ΔH_f, kcal/mol:	-314.89
Dipole, Da:	2.71
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[(3-amino-3-carboxypropyl)trisulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)C(=O)CC[C@@H](C(=O)NC1=CC=CN(C1=O)CC(=O)NCC(CC)CC)NC(=O)[C@@H]2C(=C)CCN2C(=O)C

DOS

IR

Vibrations