Geometry & MOs

Info

ID:	162499
PubChem CID:	57394871
Reduced:	O3N8C25H30 (1)
Stoich.:	A3B8C25D30 (1)
Weight, g/mol:	490.156243
ΔH_f, kcal/mol:	18.75
Dipole, Da:	6.28
IP(EA), eV:	-9.0(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2,4-dioxo-5-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=N2)NC)NC3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations