Geometry & MOs

Info

ID:	129489
PubChem CID:	51072790
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	338.101505
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	2.28
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1H-quinazolin-2-yl)methyl 4-(carbamoylamino)benzoate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CS2)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations