Geometry & MOs

Info

ID:	62326
PubChem CID:	26719250
Reduced:	O2S2N3H23C24 (1)
Stoich.:	A2B2C3D23E24 (1)
Weight, g/mol:	489.092533
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	6.52
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@H](C)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

DOS

IR

Vibrations