Geometry & MOs

Info

ID:	56944
PubChem CID:	22395003
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	541.168972
ΔH_f, kcal/mol:	4.92
Dipole, Da:	3.78
IP(EA), eV:	-9.51(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-cyclopentyloxybenzoyl)amino]-2-propan-2-yloxy-2-(4-thiophen-3-ylphenyl)butanoic acid

Drug info:

PubChemData

Smile

C=C.C=C(CC1=CC=CC=C1)C(=O)N

DOS

IR

Vibrations