Geometry & MOs

Info

ID:	55470
PubChem CID:	17395432
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	353.00851
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	6.01
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-N-methyl-1-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NOC(=C1)C)OC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations