Geometry & MOs

Info

ID:

224200

PubChem CID:

85340056

Reduced:

Cl2N11O23C76H97 (1)

Stoich.:

A2B11C23D76E97 (1)

Weight, g/mol:

571.051305

ΔHf, kcal/mol:

-710.82

Dipole, Da:

13.9

IP(EA), eV:

 -7.27(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-acetamido-2-methoxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCNCCNC1(CC(OC(C1O)C)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CN)O)O)C

DOS

IR

Vibrations