Geometry & MOs

Info

ID:	1150
PubChem CID:	3860
Reduced:	SN3O6C14H25 (1)
Stoich.:	AB3C6D14E25 (1)
Weight, g/mol:	363.146407
ΔH_f, kcal/mol:	-298.24
Dipole, Da:	11.8
IP(EA), eV:	-9.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[[1-[(1-carboxy-2-methylpropyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N

DOS

IR

Vibrations