Geometry & MOs

Info

ID:	55345
PubChem CID:	17395261
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	424.04563
ΔH_f, kcal/mol:	8.11
Dipole, Da:	5.34
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N(C)CC3=CC=CC=C3N4CCOCC4

DOS

IR

Vibrations