Geometry & MOs

Info

ID:	301996
PubChem CID:	123108224
Reduced:	NSO6C17H17 (1)
Stoich.:	ABC6D17E17 (1)
Weight, g/mol:	418.991648
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	8.27
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations