Geometry & MOs

Info

ID:	323300
PubChem CID:	126674062
Reduced:	OCl2F3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	422.112123
ΔH_f, kcal/mol:	-154.59
Dipole, Da:	5.83
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloropyridin-4-yl)methyl]-4,7-difluoro-N-[(3S)-3-fluoropiperidin-4-yl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNC[C@@H](C1NC(=O)C2=CN(C3=C(C=CC(=C23)F)F)CC4=CC(=NC=C4)Cl)F.Cl

DOS

IR

Vibrations