Geometry & MOs

Info

ID:

191356

PubChem CID:

78136771

Reduced:

NS2C9O11H19 (1)

Stoich.:

AB2C9D11E19 (1)

Weight, g/mol:

1390.502531

ΔHf, kcal/mol:

-481.18

Dipole, Da:

4.93

IP(EA), eV:

 -10.36(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-2-[3-[2-[[4-[2-[3-[5-acetamido-2-carboxy-6-[1,2-dihydroxy-3-[(4-phenylbenzoyl)amino]propyl]-4-hydroxyoxan-2-yl]oxypropylsulfanyl]ethylcarbamoyl]naphthalene-1-carbonyl]amino]ethylsulfanyl]propoxy]-6-[1,2-dihydroxy-3-[(4-phenylbenzoyl)amino]propyl]-4-hydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O

DOS

IR

Vibrations