Geometry & MOs

Info

ID:	188276
PubChem CID:	77692381
Reduced:	F3N4O4C14H17 (1)
Stoich.:	A3B4C4D14E17 (1)
Weight, g/mol:	554.165762
ΔH_f, kcal/mol:	-307.54
Dipole, Da:	7.12
IP(EA), eV:	-9.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-2-(methanesulfonamido)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC=C1)C(=N)N)C(=O)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations