Geometry & MOs

Info

ID:	41812
PubChem CID:	8147149
Reduced:	N3O3C25H34 (1)
Stoich.:	A3B3C25D34 (1)
Weight, g/mol:	387.120604
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	8.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771223
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N'-(2,3,5,6-tetrafluorophenyl)propanehydrazide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

DOS

IR

Vibrations