Geometry & MOs

Info

ID:	46447
PubChem CID:	10524442
Reduced:	SN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	390.103814
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	6.06
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-phenylmethoxy-2H-indazol-3-yl)methylsulfanyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)C4=CC=CC=C4)N

DOS

IR

Vibrations