Geometry & MOs

Info

ID:	56694
PubChem CID:	22387985
Reduced:	ClNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	508.146166
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	6.03
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2-chloro-4-phenylphenyl)methyl]-1-methyl-N-[(E)-pent-1-enyl]sulfonylindazol-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3)CC4=C(C=C(C=C4)C5=CC=CC=C5)Cl

DOS

IR

Vibrations