Geometry & MOs

Info

ID:	230248
PubChem CID:	87570517
Reduced:	SCl2O3N4C24H32 (1)
Stoich.:	AB2C3D4E24F32 (1)
Weight, g/mol:	557.129043
ΔH_f, kcal/mol:	-99.01
Dipole, Da:	2.9
IP(EA), eV:	-8.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-piperidin-4-yloxyacetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)COC)Cl)Cl

DOS

IR

Vibrations