Geometry & MOs

Info

ID:	314683
PubChem CID:	126622711
Reduced:	ClO2N3H36C37 (1)
Stoich.:	AB2C3D36E37 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	22.01
Dipole, Da:	6.52
IP(EA), eV:	-8.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-indazol-1-yl-2-piperidin-1-ylsulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)O)CN2CCC(CC2)N3C4=C(C=CC(=C4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl)N=C3C7CC7

DOS

IR

Vibrations