Geometry & MOs

Info

ID:	299844
PubChem CID:	117695915
Reduced:	NSO3C7H17 (1)
Stoich.:	ABC3D7E17 (1)
Weight, g/mol:	354.113506
ΔH_f, kcal/mol:	-158.26
Dipole, Da:	3.77
IP(EA), eV:	-9.45(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-(4-cyanophenyl)-3-methyl-4-oxobutan-2-yl]-5-methylbenzamide

Drug info:

PubChemData

Smile

CC(CCCCCS(=O)(=O)O)N

DOS

IR

Vibrations