Geometry & MOs

Info

ID:	122749
PubChem CID:	50820400
Reduced:	OSN3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	438.11802
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	4.34
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)SCCN3CCCCC3

DOS

IR

Vibrations