Geometry & MOs

Info

ID:	342266
PubChem CID:	127265043
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	-140.87
Dipole, Da:	1.39
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2CSC(=O)N2)N3CCOCC3

DOS

IR

Vibrations