Geometry & MOs

Info

ID:	437768
PubChem CID:	135226997
Reduced:	SF2N3O3H21C24 (1)
Stoich.:	AB2C3D3E21F24 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	3.62
IP(EA), eV:	-8.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-[[diethyl(oxo)-lambda6-sulfanylidene]amino]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)S(=N)(=O)C4CC4)OC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations