Geometry & MOs

Info

ID:	444724
PubChem CID:	135263378
Reduced:	O2N5C29H37 (1)
Stoich.:	A2B5C29D37 (1)
Weight, g/mol:	443.125003
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	4.71
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(4-sulfanylpiperidine-1-carbonyl)oxymethyl]phenoxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(C=C3)N4CCNCC4)N5CCCCC5

DOS

IR

Vibrations