Geometry & MOs

Info

ID:	70120
PubChem CID:	47207908
Reduced:	N2S2O3C11H18 (1)
Stoich.:	A2B2C3D11E18 (1)
Weight, g/mol:	277.06987
ΔH_f, kcal/mol:	-119.93
Dipole, Da:	2.02
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CS(=O)(=O)C(C)C(=O)NC

DOS

IR

Vibrations