Geometry & MOs

Info

ID:	157479
PubChem CID:	56430445
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	481.112999
ΔH_f, kcal/mol:	-120.38
Dipole, Da:	0.76
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)OCCNC(=O)CCC3=CC=C(C=C3)C

DOS

IR

Vibrations