Geometry & MOs

Info

ID:	448877
PubChem CID:	135294202
Reduced:	PSC7H7 (1)
Stoich.:	ABC7D7 (1)
Weight, g/mol:	638.326204
ΔH_f, kcal/mol:	68.24
Dipole, Da:	3.98
IP(EA), eV:	-8.77(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxypentanoylamino]hexan-2-yl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

Drug info:

PubChemData

Smile

C1=CC(=S)C=CC1=CP

DOS

IR

Vibrations