Geometry & MOs

Info

ID:	65280
PubChem CID:	29211895
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	5.23
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(prop-2-enylsulfamoyl)-N-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N\NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC=C

DOS

IR

Vibrations