Geometry & MOs

Info

ID:	80572
PubChem CID:	49835197
Reduced:	ClON7H20C22 (1)
Stoich.:	ABC7D20E22 (1)
Weight, g/mol:	493.128312
ΔH_f, kcal/mol:	96.25
Dipole, Da:	5.33
IP(EA), eV:	-8.5(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-pyridin-2-yl-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)Cl)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CN=C(C=C5)N(C)C

DOS

IR

Vibrations