Geometry & MOs

Info

ID:	424181
PubChem CID:	135121637
Reduced:	SO2N6H22C25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	467.134202
ΔH_f, kcal/mol:	108.7
Dipole, Da:	6.73
IP(EA), eV:	-8.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-nitrophenyl)-2-[2-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-yl]oxyacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C4=NNC(=S)N4N)C5=CC=C(C=C5)OC

DOS

IR

Vibrations