Geometry & MOs

Info

ID:	60846
PubChem CID:	26702601
Reduced:	NO3H8C10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	413.094646
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	5.29
IP(EA), eV:	-9.58(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)OC

DOS

IR

Vibrations