Geometry & MOs

Info

ID:	138972
PubChem CID:	52453105
Reduced:	SN3O3C25H25 (1)
Stoich.:	AB3C3D25E25 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	7.24
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)N[C@@H](C)CCC4=CC=CC=C4

DOS

IR

Vibrations