Geometry & MOs

Info

ID:	307896
PubChem CID:	125310659
Reduced:	NSO2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	693.24214
ΔH_f, kcal/mol:	15.97
Dipole, Da:	7.12
IP(EA), eV:	-8.71(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[2-phenylmethoxy-5-[2-(phenylmethoxycarbonylamino)ethyl]phenoxy]oxane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C4C=CC=CC4=NC(=O)[C@H]3S2

DOS

IR

Vibrations