Geometry & MOs

Info

ID:	190999
PubChem CID:	78092883
Reduced:	FO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-23.1
Dipole, Da:	2.82
IP(EA), eV:	-8.66(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[5-(benzenesulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN3C2(CN4C(C3=O)C=C5C4NC=C5)C6=CC=C(C=C6)F

DOS

IR

Vibrations