Geometry & MOs

Info

ID:	301859
PubChem CID:	123098325
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	406.111791
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	2.49
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chloroanilino)-2-oxoethyl]sulfinyl-N-(2,4,6-trimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C=CCCS(=O)CC(=O)NC1=CC=CC=C1

DOS

IR

Vibrations