Geometry & MOs

Info

ID:	180115
PubChem CID:	76580589
Reduced:	SN6O7C30H54 (1)
Stoich.:	AB6C7D30E54 (1)
Weight, g/mol:	526.167765
ΔH_f, kcal/mol:	-342.9
Dipole, Da:	6.35
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3,4-dichloro-2-[2-[3-(1-hydroxy-2-phenylethyl)phenyl]ethyl]cyclopentyl]methoxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(=O)NCCS(=O)(=O)N(C)C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C

DOS

IR

Vibrations