Geometry & MOs

Info

ID:	225641
PubChem CID:	87219114
Reduced:	F2N4O5C26H28 (1)
Stoich.:	A2B4C5D26E28 (1)
Weight, g/mol:	567.139483
ΔH_f, kcal/mol:	-221.37
Dipole, Da:	7.93
IP(EA), eV:	-9.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[[(2R)-1-(3-chlorophenyl)-3-sulfanylpropan-2-yl]carbamoyl]-2-ethoxyimidazol-1-yl]methyl]-3-fluorophenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(=O)N[C@H](CC3=CC(=C(C=C3)F)F)CC(=O)NO

DOS

IR

Vibrations