Geometry & MOs

Info

ID:

65282

PubChem CID:

29211899

Reduced:

SO3N6H26C27 (1)

Stoich.:

AB3C6D26E27 (1)

Weight, g/mol:

497.246061

ΔHf, kcal/mol:

24.06

Dipole, Da:

8.38

IP(EA), eV:

 -8.86(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)NN=C(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations