Geometry & MOs

Info

ID:	236618
PubChem CID:	92714242
Reduced:	Cl2O2N3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	381.128883
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	2.0
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2,4-difluoroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations