Geometry & MOs

Info

ID:	326141
PubChem CID:	126686710
Reduced:	SO2F3N5H16C18 (1)
Stoich.:	AB2C3D5E16F18 (1)
Weight, g/mol:	462.167889
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	4.44
IP(EA), eV:	-8.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluorobutoxy)-2-[[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=CC(=C(S2)CN3CC4=C(C3=O)C(=NC=N4)OCC(F)F)F)C

DOS

IR

Vibrations