Geometry & MOs

Info

ID:	388870
PubChem CID:	134990488
Reduced:	N2S3O7C14H24 (1)
Stoich.:	A2B3C7D14E24 (1)
Weight, g/mol:	370.171499
ΔH_f, kcal/mol:	-259.17
Dipole, Da:	4.45
IP(EA), eV:	-9.61(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1R,12bS)-1-ethyl-4-sulfanylidene-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(C)OC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC

DOS

IR

Vibrations