Geometry & MOs

Info

ID:	237379
PubChem CID:	92718973
Reduced:	N4O5C26H28 (1)
Stoich.:	A4B5C26D28 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	2.22
IP(EA), eV:	-9.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)COC(=O)C45C[C@H]6C[C@@H](C4)CC(C6)(C5)NC(=O)C

DOS

IR

Vibrations