Geometry & MOs

Info

ID:	65305
PubChem CID:	29211983
Reduced:	SN3O3C26H33 (1)
Stoich.:	AB3C3D26E33 (1)
Weight, g/mol:	396.06986
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	5.62
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[(E)-[(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