Geometry & MOs

Info

ID:	437736
PubChem CID:	135226965
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	471.142819
ΔH_f, kcal/mol:	-9.95
Dipole, Da:	3.51
IP(EA), eV:	-8.09(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[diethyl(oxo)-lambda6-sulfanylidene]amino]-2-(2,4-difluorophenoxy)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)S(=O)C4CCCC4)NCC5CC5

DOS

IR

Vibrations