Geometry & MOs

Info

ID:	27418
PubChem CID:	821254
Reduced:	SO2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-39.26
Dipole, Da:	7.21
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-oxo-1H-quinazolin-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=O)N

DOS

IR

Vibrations