Geometry & MOs

Info

ID:	60858
PubChem CID:	26702707
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	453.125946
ΔH_f, kcal/mol:	12.2
Dipole, Da:	5.49
IP(EA), eV:	-8.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzylpyrazol-4-yl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations