Geometry & MOs

Info

ID:	192343
PubChem CID:	78258476
Reduced:	OSN3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	366.078662
ΔH_f, kcal/mol:	59.08
Dipole, Da:	4.1
IP(EA), eV:	-8.31(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=NC(=O)C4C=CC=CC4=N3)C)C

DOS

IR

Vibrations