Geometry & MOs

Info

ID:

85013

PubChem CID:

49871308

Reduced:

NO8C19H31 (1)

Stoich.:

AB8C19D31 (1)

Weight, g/mol:

315.168188

ΔHf, kcal/mol:

-376.79

Dipole, Da:

3.87

IP(EA), eV:

 -10.18(0.4)

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-(prop-2-enylamino)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations