Geometry & MOs

Info

ID:	347987
PubChem CID:	127273049
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	5.22
IP(EA), eV:	-8.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2CC2)N3CCN(CC3)C

DOS

IR

Vibrations