Geometry & MOs

Info

ID:	196909
PubChem CID:	78894551
Reduced:	SCl2N2O3C18H20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	410.02998
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	8.16
IP(EA), eV:	-9.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonamido)ethyl]-3-(2-bromophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)CCCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations