Geometry & MOs

Info

ID:

306983

PubChem CID:

125264561

Reduced:

N5O10C55H77 (1)

Stoich.:

A5B10C55D77 (1)

Weight, g/mol:

602.250727

ΔHf, kcal/mol:

-429.48

Dipole, Da:

4.16

IP(EA), eV:

 -8.88(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2S)-3,3-dimethyl-2-[[(1S,2R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@@H]([C@H](C)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations