Geometry & MOs

Info

ID:

328095

PubChem CID:

126692040

Reduced:

ON2C12H12 (2)

Stoich.:

AB2C12D12 (2)

Weight, g/mol:

1116.893921

ΔHf, kcal/mol:

19.04

Dipole, Da:

3.53

IP(EA), eV:

 -8.67(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3-[(2R)-2-(hexadecanoylamino)-3-[[1-[6-(methylamino)-6-oxohexyl]triazol-4-yl]methylamino]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=C(C=C2)C)C3=C(C(=CC(=C3)C4=C(ON=C4C)C)NC)NC=O

DOS

IR

Vibrations