Geometry & MOs

Info

ID:	392045
PubChem CID:	135012158
Reduced:	OSN2F6H24C30 (1)
Stoich.:	ABC2D6E24F30 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-258.26
Dipole, Da:	7.22
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,7S)-5,7-dihydroxyoct-2-ynoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations