Geometry & MOs

Info

ID:	158631
PubChem CID:	56464347
Reduced:	SO2N6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	423.209282
ΔH_f, kcal/mol:	-1.86
Dipole, Da:	3.91
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4)C

DOS

IR

Vibrations