Geometry & MOs

Info

ID:

442260

PubChem CID:

135250885

Reduced:

SN7O14C44H77 (1)

Stoich.:

AB7C14D44E77 (1)

Weight, g/mol:

349.155909

ΔHf, kcal/mol:

-733.6

Dipole, Da:

9.94

IP(EA), eV:

 -9.2(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCCCC)C(=O)NC(CC(C)C)C(=O)O)NC(=O)CNC(=O)C1CCC(CC1)CCSC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations