Geometry & MOs

Info

ID:	193190
PubChem CID:	78354778
Reduced:	ClO3N4C24H37 (1)
Stoich.:	AB3C4D24E37 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	-140.56
Dipole, Da:	3.2
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1NC2CCCCC2C(=O)N1)N(CCCCCCN)C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations