Geometry & MOs

Info

ID:	339864
PubChem CID:	127261873
Reduced:	NSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	250.019433
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	4.87
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2E)-2-(carbamothioylhydrazinylidene)acetyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=C/C(=C/N[C@@H](CS)C(=O)O)/C(=O)C=C1

DOS

IR

Vibrations