Geometry & MOs

Info

ID:	297792
PubChem CID:	117631055
Reduced:	OF2N3H10C11 (2)
Stoich.:	AB2C3D10E11 (2)
Weight, g/mol:	443.111519
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	5.5
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)N2N=CC=N2)C(=O)N3C[C@@H]4CC[C@H]3[C@@H](C4)OC5=C(C=C(C=N5)C(F)(F)F)F

DOS

IR

Vibrations