Geometry & MOs

Info

ID:	236599
PubChem CID:	92714194
Reduced:	O2N4H16C21 (1)
Stoich.:	A2B4C16D21 (1)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	50.21
Dipole, Da:	6.22
IP(EA), eV:	-8.61(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(7S)-6-(4-methoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)C#N

DOS

IR

Vibrations