Geometry & MOs

Info

ID:	158876
PubChem CID:	57244125
Reduced:	ClOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	568.12504
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	0.84
IP(EA), eV:	-9.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(4-fluorophenyl)-4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]benzoyl]amino]-4-methylsulfonylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@H](CCC1=C(C(=CC=C1)Cl)Cl)O)OCC2=CC=CC=C2

DOS

IR

Vibrations