Geometry & MOs

Info

ID:	188203
PubChem CID:	77681144
Reduced:	NSO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	597.259205
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	10.54
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[[4-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C)CC1=CC(=CS1)C2=CC=C(C=C2)C(CC(=O)O)OCC

DOS

IR

Vibrations