Geometry & MOs

Info

ID:	192394
PubChem CID:	78263805
Reduced:	O4N6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	480.133279
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	8.38
IP(EA), eV:	-9.05(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC(=O)CN3C=NC4C3N(C(=O)N(C4=O)C)C

DOS

IR

Vibrations