Geometry & MOs

Info

ID:	193066
PubChem CID:	78337602
Reduced:	SN3O6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	422.13972
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	2.36
IP(EA), eV:	-8.94(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(4-methylphenyl)-2-(6-methylpyridin-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)C=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C

DOS

IR

Vibrations