Geometry & MOs

Info

ID:	44120
PubChem CID:	10500855
Reduced:	SO5C21H30 (1)
Stoich.:	AB5C21D30 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-225.62
Dipole, Da:	3.69
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,9S,10aS)-7,9-dimethyl-4-(4-methylphenyl)sulfonyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline

Drug info:

PubChemData

Smile

CCOC(=O)[C@](C)(/C=C(\C)/C(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC

DOS

IR

Vibrations