Geometry & MOs

Info

ID:

164263

PubChem CID:

74382664

Reduced:

FO13N17C59H84 (1)

Stoich.:

AB13C17D59E84 (1)

Weight, g/mol:

1022.657558

ΔHf, kcal/mol:

-578.2

Dipole, Da:

4.93

IP(EA), eV:

 -8.34(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hexadecanoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 2,4,6-trimethyldocos-2-enoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)NNC(=O)C(CC3=CC(=CC=C3)F)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C

DOS

IR

Vibrations