Geometry & MOs

Info

ID:

383236

PubChem CID:

134974856

Reduced:

SN2O11C18H31 (2)

Stoich.:

AB2C11D18E31 (2)

Weight, g/mol:

484.172681

ΔHf, kcal/mol:

-1052.91

Dipole, Da:

6.86

IP(EA), eV:

 -9.72(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)methyl]oxan-3-yl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CSSC[C@@H](C(=O)NC1C(OC(C(C1O)O)CO)CC2C(C(C(C(C2O)O)O)O)O)NC(=O)C)C(=O)NC3C(OC(C(C3O)O)CO)CC4C(C(C(C(C4O)O)O)O)O

DOS

IR

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