Geometry & MOs

Info

ID:

444973

PubChem CID:

135264140

Reduced:

N3O7C20H29 (1)

Stoich.:

A3B7C20D29 (1)

Weight, g/mol:

570.257731

ΔHf, kcal/mol:

-279.07

Dipole, Da:

4.34

IP(EA), eV:

 -9.14(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4aS,7aS)-4-methoxycarbonyl-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)O[C@H]1[C@H]2[C@H](CC=C2COC(=O)[C@H](CC(=C)N)N)C(=CO1)C(=O)OC)N

DOS

IR

Vibrations