Geometry & MOs

Info

ID:	83316
PubChem CID:	49857443
Reduced:	SF2O3N5C24H25 (1)
Stoich.:	AB2C3D5E24F25 (1)
Weight, g/mol:	487.199523
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	7.9
IP(EA), eV:	-8.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-difluoropiperidin-1-yl)-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CN1C(=O)CN5CCS(=O)(=O)CC5

DOS

IR

Vibrations