Geometry & MOs

Info

ID:	405711
PubChem CID:	135075148
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	308.038627
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	2.71
IP(EA), eV:	-9.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-N-(methyl-oxo-pyridin-2-yl-lambda6-sulfanylidene)acetamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)C(=O)OOC(C)(C)C

DOS

IR

Vibrations