Geometry & MOs

Info

ID:	193325
PubChem CID:	78375936
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	358.098728
ΔH_f, kcal/mol:	-112.79
Dipole, Da:	4.34
IP(EA), eV:	-8.72(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2C=C(C(=CC2=NC1=S)OC)OC

DOS

IR

Vibrations