Geometry & MOs

Info

ID:	143920
PubChem CID:	53282688
Reduced:	SCl2N3O3C21H25 (1)
Stoich.:	AB2C3D3E21F25 (1)
Weight, g/mol:	456.127441
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	3.87
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(4-propan-2-ylphenyl)benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC=C(C=C2)N(CC3=C(C=CC=C3Cl)Cl)S(=O)(=O)C

DOS

IR

Vibrations