Geometry & MOs

Info

ID:	302365
PubChem CID:	124361432
Reduced:	FO8H17C21 (1)
Stoich.:	AB8C17D21 (1)
Weight, g/mol:	291.114044
ΔH_f, kcal/mol:	-304.31
Dipole, Da:	1.18
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2S,3S,4R)-3-hydroxy-4-(methoxycarbonylamino)thiolan-2-yl]pentanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@@H]4[C@H](C(=O)[C@@H]([C@@H](O4)CO)O)O)F

DOS

IR

Vibrations