Geometry & MOs

Info

ID:

310325

PubChem CID:

126578794

Reduced:

N7O20C56H93 (1)

Stoich.:

A7B20C56D93 (1)

Weight, g/mol:

278.151809

ΔHf, kcal/mol:

-1028.84

Dipole, Da:

5.11

IP(EA), eV:

 -9.73(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C([C@@H](OC1COC(=O)C)OCCNC(=O)CCC(CCC(=O)NCCO[C@H]2C([C@H]([C@H](C(O2)COC(=O)C)C)C)NC(=O)C)(CCC(=O)NCCO[C@H]3C([C@H]([C@H](C(O3)COC(=O)C)C)C)NC(=O)C)NC(=O)CC(=O)C)NC(=O)C)C

DOS

IR

Vibrations