Geometry & MOs

Info

ID:

164223

PubChem CID:

74382396

Reduced:

S2O20N27C81H127 (1)

Stoich.:

A2B20C27D81E127 (1)

Weight, g/mol:

853.773455

ΔHf, kcal/mol:

-842.54

Dipole, Da:

6.98

IP(EA), eV:

 -9.07(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyoctadecan-2-yl]heptacosanamide

Drug info:

PubChemData

Smile

CCCCCCC(=O)NC(CS)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCC)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CC(NC(=O)C4CCCNC(=N)N)C(=O)N

DOS

IR

Vibrations