Geometry & MOs

Info

ID:	1865
PubChem CID:	5231
Reduced:	SN2O4C7H12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	220.051778
ΔH_f, kcal/mol:	-136.99
Dipole, Da:	4.54
IP(EA), eV:	-9.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(C(=O)O)C(C)(C)SN=O

DOS

IR

Vibrations