Geometry & MOs

Info

ID:	243954
PubChem CID:	99302993
Reduced:	BrClNO4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-133.86
Dipole, Da:	3.01
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylbenzamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H](C1=CC=C(C=C1)Br)NC(=O)CCCOC2=CC=CC=C2Cl

DOS

IR

Vibrations