Geometry & MOs

Info

ID:	65303
PubChem CID:	29211977
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	467.224263
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	1.72
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-[(Z)-[(1S,4S)-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)N2CCCC2)C(=O)N/N=C\3/C[C@H]4CC[C@@]3(C4(C)C)C

DOS

IR

Vibrations