Geometry & MOs

Info

ID:	31410
PubChem CID:	855685
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	6.15
IP(EA), eV:	-8.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C)C(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations