Geometry & MOs

Info

ID:	179211
PubChem CID:	76452073
Reduced:	SN3O6C8H13 (1)
Stoich.:	AB3C6D8E13 (1)
Weight, g/mol:	333.1536
ΔH_f, kcal/mol:	-206.27
Dipole, Da:	3.74
IP(EA), eV:	-10.0(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-[(1-carboxy-2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)NC(CSN=O)C(=O)O)C(C(=O)O)N

DOS

IR

Vibrations