Geometry & MOs

Info

ID:	62451
PubChem CID:	26719733
Reduced:	ClO2S2N3H18C19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	495.022261
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	2.99
IP(EA), eV:	-8.68(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chloroanilino)-2-oxoethyl]-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CSCCC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations