Geometry & MOs

Info

ID:

132846

PubChem CID:

51431937

Reduced:

O2S2N3C14H14 (1)

Stoich.:

A2B2C3D14E14 (1)

Weight, g/mol:

373.182398

ΔHf, kcal/mol:

22.52

Dipole, Da:

6.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.951852

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclohexyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC(=C1[C@H](N=C(N=C1C)SCC#N)C2=CC=CS2)[O-]

DOS

IR

Vibrations