Geometry & MOs

Info

ID:	193324
PubChem CID:	78375935
Reduced:	ClSN4O4H23C27 (1)
Stoich.:	ABC4D4E23F27 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	7.93
IP(EA), eV:	-8.37(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-(3-propan-2-yloxypropyl)-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=O)C5C=C6C(=CC5=NC4=S)OCO6

DOS

IR

Vibrations