Geometry & MOs

Info

ID:	56689
PubChem CID:	22387977
Reduced:	ClN3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	499.052418
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	2.86
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(E)-2-phenylethenyl]sulfonylindazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=C(C=C(C=C3)COC4=CC=CC=C4)Cl)N=C(C=C2)C(=O)OC

DOS

IR

Vibrations