Geometry & MOs

Info

ID:	178563
PubChem CID:	76349403
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-170.02
Dipole, Da:	4.87
IP(EA), eV:	-9.46(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-4aH-quinazolin-3-yl)propyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2)CCCOC(=O)C3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations