Geometry & MOs

Info

ID:	173654
PubChem CID:	75666843
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	5.79
IP(EA), eV:	-9.16(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylphenyl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(=O)C(C)C

DOS

IR

Vibrations