Geometry & MOs

Info

ID:	120687
PubChem CID:	50740066
Reduced:	FON3H18C22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	491.991
ΔH_f, kcal/mol:	7.21
Dipole, Da:	4.47
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC(=CC=C3)F)NC4=CC=CC=N4

DOS

IR

Vibrations