Geometry & MOs

Info

ID:	60747
PubChem CID:	26699122
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	398.083747
ΔH_f, kcal/mol:	-158.32
Dipole, Da:	9.54
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=C(C=C3C[C@H](OC3=C2)C)OC

DOS

IR

Vibrations