Geometry & MOs

Info

ID:

191313

PubChem CID:

78129592

Reduced:

N8O13C65H88 (1)

Stoich.:

A8B13C65D88 (1)

Weight, g/mol:

417.134301

ΔHf, kcal/mol:

-456.79

Dipole, Da:

12.83

IP(EA), eV:

 -8.26(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(hydroxyiminomethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)NC2C3C(=NC4=C(O3)C=C(C=C4OCCCCN5CCN(CC5)C(=O)CN6C=CN=C6)N7CCN(CC7)CC(C)C)C8=C(C2=O)C(=C(C9=C8C(=C)C(O9)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)C

DOS

IR

Vibrations