Geometry & MOs

Info

ID:	313067
PubChem CID:	126611564
Reduced:	N2S2O3C7H12 (1)
Stoich.:	A2B2C3D7E12 (1)
Weight, g/mol:	259.116821
ΔH_f, kcal/mol:	-19.14
Dipole, Da:	5.18
IP(EA), eV:	-9.39(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(2-amino-3-oxopropyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid

Drug info:

PubChemData

Smile

C(CSS/C=C(/C=C\CN)\[N+](=O)[O-])O

DOS

IR

Vibrations