Geometry & MOs

Info

ID:

432730

PubChem CID:

135172867

Reduced:

FN5O8C39H66 (1)

Stoich.:

AB5C8D39E66 (1)

Weight, g/mol:

366.195486

ΔHf, kcal/mol:

-456.32

Dipole, Da:

3.73

IP(EA), eV:

 -8.9(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R,3R)-3-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1C[C@H](C[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)O)OC)F)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations