Geometry & MOs

Info

ID:	28561
PubChem CID:	828366
Reduced:	SN2O2H14C19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	328.06147
ΔH_f, kcal/mol:	33.63
Dipole, Da:	4.04
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-chlorophenyl)-4-oxoquinazoline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N

DOS

IR

Vibrations