Geometry & MOs

Info

ID:	193594
PubChem CID:	78411366
Reduced:	ClO4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	337.063346
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	2.43
IP(EA), eV:	-9.9(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)C(C(=O)O1)C(=O)C=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations