Geometry & MOs

Info

ID:	140031
PubChem CID:	52634828
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	81.74
Dipole, Da:	8.2
IP(EA), eV:	-8.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCOC

DOS

IR

Vibrations