Geometry & MOs

Info

ID:	437677
PubChem CID:	135226842
Reduced:	SF2N2O2H16C21 (1)
Stoich.:	AB2C2D2E16F21 (1)
Weight, g/mol:	423.12169
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	2.74
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropylsulfanyl-2-(2,4-difluoroanilino)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations