Geometry & MOs

Info

ID:	169969
PubChem CID:	75175620
Reduced:	SN3O5C24H33 (1)
Stoich.:	AB3C5D24E33 (1)
Weight, g/mol:	435.182792
ΔH_f, kcal/mol:	-168.18
Dipole, Da:	2.69
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[[(2-hydroxy-3-prop-2-enoxypropyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)CN(CC(COC3=CC=CC=C3C)O)C4CC4)C

DOS

IR

Vibrations