Geometry & MOs

Info

ID:	138927
PubChem CID:	52444721
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	3.04
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CN2C3=C(C(=O)N(C2=O)CC4=CC(=C(C=C4)C)C)SC=C3

DOS

IR

Vibrations