Geometry & MOs

Info

ID:	68305
PubChem CID:	46508152
Reduced:	SO2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	433.109627
ΔH_f, kcal/mol:	18.0
Dipole, Da:	5.04
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylanilino)ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)/C=C/C(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations