Geometry & MOs

Info

ID:

326950

PubChem CID:

126688754

Reduced:

ClSO4N8C19H25 (1)

Stoich.:

ABC4D8E19F25 (1)

Weight, g/mol:

1012.478562

ΔHf, kcal/mol:

-67.45

Dipole, Da:

4.34

IP(EA), eV:

 -8.47(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;4-[[2-[4-[18-[4-[2-(3-carboxylatopropylcarbamoylamino)acetyl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxy-2-oxoethyl]carbamoylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)(CS(=O)(=O)N[C@H]1COC2C1OC[C@H]2NC3=NC(=NC=C3Cl)NC4=CN(N=C4)C)C#N

DOS

IR

Vibrations