Geometry & MOs

Info

ID:	141483
PubChem CID:	52881560
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-135.69
Dipole, Da:	4.26
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[[(2S)-2-methyl-3-oxopiperazin-1-yl]methyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCNC(=O)[C@@H]3C

DOS

IR

Vibrations