Geometry & MOs

Info

ID:	243791
PubChem CID:	99239625
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	498.138006
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	6.42
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(cyclopropylmethoxymethyl)phenyl]-5-[ethyl(phenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)COCC4CC4)[N+](=O)[O-]

DOS

IR

Vibrations