Geometry & MOs

Info

ID:

83334

PubChem CID:

49857462

Reduced:

NO6C20H21 (1)

Stoich.:

AB6C20D21 (1)

Weight, g/mol:

473.204967

ΔHf, kcal/mol:

-194.08

Dipole, Da:

2.71

IP(EA), eV:

 -9.14(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-[(3aR,6R,7aS)-2,2-dimethyl-6-[2-[methyl(prop-2-enoxycarbonyl)amino]ethyl]-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2C[C@H](C=C([C@H]2O1)C3=CC4=C(C=C3C(=O)OC)OCO4)CC#N)C

DOS

IR

Vibrations