Geometry & MOs

Info

ID:	437799
PubChem CID:	135227085
Reduced:	SF2N2O2H18C22 (1)
Stoich.:	AB2C2D2E18F22 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	2.43
IP(EA), eV:	-8.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[diethyl(oxo)-lambda6-sulfanylidene]amino]-2-phenoxyphenyl]-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)CSC)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations