Geometry & MOs

Info

ID:	132404
PubChem CID:	51358857
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	562.159614
ΔH_f, kcal/mol:	-219.97
Dipole, Da:	2.28
IP(EA), eV:	-9.38(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8S,9aS,9bR)-5-ethoxy-7-(4-methylphenyl)sulfonyl-2-phenyl-8-thiophen-2-yl-4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@]3([C@@H]([C@H](C[C@H](O3)CCO)O)O)OCCC2

DOS

IR

Vibrations