Geometry & MOs

Info

ID:

65304

PubChem CID:

29211980

Reduced:

SN3O3C26H33 (1)

Stoich.:

AB3C3D26E33 (1)

Weight, g/mol:

467.224263

ΔHf, kcal/mol:

-70.89

Dipole, Da:

3.06

IP(EA), eV:

 -9.03(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N/N=C\3/C[C@@H]4CC[C@]3(C4(C)C)C)C

DOS

IR

Vibrations