Geometry & MOs

Info

ID:

85014

PubChem CID:

49871309

Reduced:

NO6C15H25 (1)

Stoich.:

AB6C15D25 (1)

Weight, g/mol:

415.220617

ΔHf, kcal/mol:

-260.96

Dipole, Da:

3.67

IP(EA), eV:

 -9.26(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CC(=O)OC)NCC=C)OC)C

DOS

IR

Vibrations