Geometry & MOs

Info

ID:	411629
PubChem CID:	135084461
Reduced:	INOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	272.983812
ΔH_f, kcal/mol:	27.28
Dipole, Da:	4.13
IP(EA), eV:	-8.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=CC(=CC=C2)I

DOS

IR

Vibrations