Geometry & MOs

Info

ID:

215322

PubChem CID:

85084541

Reduced:

O5C14H22 (3)

Stoich.:

A5B14C22 (3)

Weight, g/mol:

811.397928

ΔHf, kcal/mol:

-657.98

Dipole, Da:

6.13

IP(EA), eV:

 -9.65(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[5-[[amino-[3-(trifluoromethyl)anilino]methylidene]amino]-2-(hydroxymethyl)-3-(undecanoylamino)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C(=O)OO)O)O)O)C)C)C2C1)C)C(=O)O)C

DOS

IR

Vibrations