Geometry & MOs

Info

ID:	195149
PubChem CID:	78643999
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	358.062343
ΔH_f, kcal/mol:	-18.99
Dipole, Da:	5.47
IP(EA), eV:	-9.07(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-2-[(2-thiophen-3-ylacetyl)oxymethyl]-4aH-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

DOS

IR

Vibrations