Geometry & MOs

Info

ID:	193331
PubChem CID:	78376395
Reduced:	KON2S2H9C10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	509.196901
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	7.94
IP(EA), eV:	-8.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(3-methoxy-4-propoxyphenyl)-2-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)[S-])S2.[K+]

DOS

IR

Vibrations