Geometry & MOs

Info

ID:	314679
PubChem CID:	126622700
Reduced:	Cl2N3O4H29C30 (1)
Stoich.:	A2B3C4D29E30 (1)
Weight, g/mol:	677.131811
ΔH_f, kcal/mol:	-103.74
Dipole, Da:	5.66
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=N1)C5CCN(CC5)C(=O)O

DOS

IR

Vibrations