Geometry & MOs

Info

ID:	169591
PubChem CID:	75122409
Reduced:	SF2N2O7C21H22 (1)
Stoich.:	AB2C2D7E21F22 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	-337.63
Dipole, Da:	6.34
IP(EA), eV:	-9.04(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-4aH-quinazolin-2-yl)ethyl 2-(2-phenylethyl)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)OC(F)F

DOS

IR

Vibrations