Geometry & MOs

Info

ID:	62876
PubChem CID:	26737407
Reduced:	ClSN2O3H9C15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	482.15902
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	5.0
IP(EA), eV:	-9.17(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C\C3=COC=C3)/C(=O)NC2=S

DOS

IR

Vibrations