Geometry & MOs

Info

ID:	236563
PubChem CID:	92714028
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	4.02
IP(EA), eV:	-8.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(7S)-6-(2,5-dimethoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations