Geometry & MOs

Info

ID:	195744
PubChem CID:	78729712
Reduced:	O2N3C14H28 (1)
Stoich.:	A2B3C14D28 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-113.39
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755794
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylphenyl)sulfanylmethyl]-6,7-dimethoxy-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC(C)NC(=O)NC(=O)C[NH+]1CCCCCCC1

DOS

IR

Vibrations