Geometry & MOs

Info

ID:	236289
PubChem CID:	92712244
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	415.171834
ΔH_f, kcal/mol:	-107.77
Dipole, Da:	6.06
IP(EA), eV:	-8.9(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(6-methylthieno[2,3-b]quinolin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C=C4)C

DOS

IR

Vibrations