Geometry & MOs

Info

ID:	182224
PubChem CID:	76861684
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	494.235162
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	3.31
IP(EA), eV:	-9.72(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide

Drug info:

PubChemData

Smile

CCONC(=O)C1C=NC2=C(C1=O)C=CC(=N2)C

DOS

IR

Vibrations