Geometry & MOs

Info

ID:

326948

PubChem CID:

126688750

Reduced:

ClSO4N7C17H24 (1)

Stoich.:

ABC4D7E17F24 (1)

Weight, g/mol:

966.596947

ΔHf, kcal/mol:

-93.49

Dipole, Da:

4.8

IP(EA), eV:

 -8.4(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5,5-trimethyl-2-oxo-4-[3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyloxy]-3-oxocyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations