Geometry & MOs

Info

ID:	375576
PubChem CID:	134214004
Reduced:	ClO2F3N3H19C20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	455.122354
ΔH_f, kcal/mol:	-198.59
Dipole, Da:	8.15
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-[(2S)-1,2-dihydroxypropan-2-yl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=C(C=C(C=N2)CCO)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations