Geometry & MOs

Info

ID:	26666
PubChem CID:	794515
Reduced:	NOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	338.145285
ΔH_f, kcal/mol:	15.59
Dipole, Da:	4.56
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-benzylsulfanyl-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CSC(=N1)SCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations