Geometry & MOs

Info

ID:	85573
PubChem CID:	49877070
Reduced:	ClNSO2C5H9 (1)
Stoich.:	ABCD2E5F9 (1)
Weight, g/mol:	372.093736
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	1.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.763702
Charge, e:	-1

Chem-info

IUPAC name:

3-amino-4-(4-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;chloride

Drug info:

PubChemData

Smile

COC(=O)C1CSCN1.[Cl-]

DOS

IR

Vibrations