Geometry & MOs

Info

ID:	123121
PubChem CID:	50834616
Reduced:	SF2O3N4H20C22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	482.172083
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	3.09
IP(EA), eV:	-8.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations