Geometry & MOs

Info

ID:	435281
PubChem CID:	135187602
Reduced:	NOS2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	252.056863
ΔH_f, kcal/mol:	-11.83
Dipole, Da:	2.11
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-6-oxo-4-propan-2-yl-1H-pyridin-2-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C(=O)CSC2=S)C

DOS

IR

Vibrations