Geometry & MOs

Info

ID:

178570

PubChem CID:

76350455

Reduced:

ClO3N5C24H38 (1)

Stoich.:

AB3C5D24E38 (1)

Weight, g/mol:

468.19436

ΔHf, kcal/mol:

-146.58

Dipole, Da:

5.24

IP(EA), eV:

 -9.62(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CCC)N)C(=O)CNC(CC)(CC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations