Geometry & MOs

Info

ID:	320421
PubChem CID:	126660721
Reduced:	NOS2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	17.63
Dipole, Da:	4.77
IP(EA), eV:	-7.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-(2-methylphenyl)-2-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCCCC1=CC\2=C(S1)C(=CN(/C2=C\CC)C)C3=CC=C(C=C3)S(=O)C

DOS

IR

Vibrations