Geometry & MOs

Info

ID:	225450
PubChem CID:	85786944
Reduced:	NC13H13 (2)
Stoich.:	AB13C13 (2)
Weight, g/mol:	426.02489
ΔH_f, kcal/mol:	62.05
Dipole, Da:	1.57
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromopropoxy)phenyl]-2-(methanesulfonamido)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N=C2CC4=CC(=C(C=C4)C)C)C

DOS

IR

Vibrations