Geometry & MOs

Info

ID:	403019
PubChem CID:	135058353
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	407.020591
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	4.04
IP(EA), eV:	-8.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-chlorobenzoyl)-6-methoxyphenyl]methyl]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)C1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)C

DOS

IR

Vibrations