Geometry & MOs

Info

ID:	191985
PubChem CID:	78209739
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	328.106791
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	4.01
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-2-sulfanylidene-4-thiophen-2-yl-5,6,7,8-tetrahydro-4aH-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1CCC2C(C1)OC=C(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations