Geometry & MOs

Info

ID:	347554
PubChem CID:	127272409
Reduced:	FSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	4.17
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NC3=CC(=C(C=C3)N4C=CC=N4)F

DOS

IR

Vibrations