Geometry & MOs

Info

ID:

375825

PubChem CID:

134221816

Reduced:

NS3C12H27 (1)

Stoich.:

AB3C12D27 (1)

Weight, g/mol:

673.418982

ΔHf, kcal/mol:

140.14

Dipole, Da:

0.64

IP(EA), eV:

 -6.03(1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[2-[2-[[(2S,4aS,6bS)-4a,6b,9,12a-tetramethyl-10,13-dioxo-2,3,4,5,6,6a,6a,7,8,8a,9,11,12,14b-tetradecahydro-1H-picene-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CS(C)(C=C)N(S(C)(C)C=C)S(C)(C)C=C

DOS

IR

Vibrations