Geometry & MOs

Info

ID:	437761
PubChem CID:	135226990
Reduced:	SF2N2O2H18C22 (1)
Stoich.:	AB2C2D2E18F22 (1)
Weight, g/mol:	390.121355
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	3.76
IP(EA), eV:	-8.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,2-difluorocyclopropyl)methoxy]-5-ethylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations