Geometry & MOs

Info

ID:	199199
PubChem CID:	79213530
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	5.0
IP(EA), eV:	-8.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCO)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations