Geometry & MOs

Info

ID:	175389
PubChem CID:	75896576
Reduced:	O2S2N4C23H36 (1)
Stoich.:	A2B2C4D23E36 (1)
Weight, g/mol:	430.091118
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	5.76
IP(EA), eV:	-8.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)phenyl]-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC(C)C)C(=O)CCSCC1=NC(=O)C2C3=C(CCC3)SC2=N1

DOS

IR

Vibrations