Geometry & MOs

Info

ID:	156075
PubChem CID:	56369025
Reduced:	ClFSO2N3H15C20 (1)
Stoich.:	ABCD2E3F15G20 (1)
Weight, g/mol:	450.124943
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	8.07
IP(EA), eV:	-9.09(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-acetylphenyl)sulfonylamino]-N-(3-benzoylphenyl)propanamide

Drug info:

PubChemData

Smile

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations