Geometry & MOs

Info

ID:	161134
PubChem CID:	57390850
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	585.164218
ΔH_f, kcal/mol:	-143.64
Dipole, Da:	4.87
IP(EA), eV:	-9.05(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(2R)-2-[5-chloro-1-[6-(trifluoromethyl)pyridin-2-yl]indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)C(C1=CC=C(C=C1)OC)O

DOS

IR

Vibrations