Geometry & MOs

Info

ID:

168667

PubChem CID:

74999984

Reduced:

SO5N7C25H31 (1)

Stoich.:

AB5C7D25E31 (1)

Weight, g/mol:

1028.340996

ΔHf, kcal/mol:

-131.91

Dipole, Da:

4.31

IP(EA), eV:

 -9.02(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[3-benzamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carbamoyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-5-methoxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-dodecoxypropanoic acid

Drug info:

PubChemData

Smile

C1CC(N2C1CN(CC2=O)C(=O)OCC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)C4=NC=CS4

DOS

IR

Vibrations