Geometry & MOs

Info

ID:	140144
PubChem CID:	52654299
Reduced:	FS2N3O3C23H30 (1)
Stoich.:	AB2C3D3E23F30 (1)
Weight, g/mol:	469.219927
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	4.73
IP(EA), eV:	-8.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C2=C(C=C(C=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCC4)F

DOS

IR

Vibrations