Geometry & MOs

Info

ID:

47615

PubChem CID:

10534531

Reduced:

S3O12N18C64H106 (1)

Stoich.:

A3B12C18D64E106 (1)

Weight, g/mol:

1427.303708

ΔHf, kcal/mol:

-443.14

Dipole, Da:

6.08

IP(EA), eV:

 -8.64(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylcarbamoyloxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations