Geometry & MOs

Info

ID:	382391
PubChem CID:	134973523
Reduced:	O4C23H42 (1)
Stoich.:	A4B23C42 (1)
Weight, g/mol:	334.062343
ΔH_f, kcal/mol:	-213.76
Dipole, Da:	1.26
IP(EA), eV:	-10.01(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2E)-3-oxo-2-(2-sulfanylidene-1H-quinazolin-4-ylidene)pentanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCC#C[C@@H](CCCCOC1CCCCO1)OCOC

DOS

IR

Vibrations