Geometry & MOs

Info

ID:	138991
PubChem CID:	52455631
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	381.158492
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	4.09
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-9-tert-butyl-11-thiophen-2-yl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinoline

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CC(=O)N2[C@@H](CC(=N2)C3=CC=CO3)C4=CC=CO4

DOS

IR

Vibrations