Geometry & MOs

Info

ID:

435254

PubChem CID:

135186605

Reduced:

N2O6C9H17 (2)

Stoich.:

A2B6C9D17 (2)

Weight, g/mol:

519.34207

ΔHf, kcal/mol:

-537.22

Dipole, Da:

1.98

IP(EA), eV:

 -9.38(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[2-[(2-amino-1-cyclohexyl-2-oxoethyl)amino]-1-cyclohexyl-2-oxoethyl]-1-(2-amino-3,3-dimethylbutanoyl)-4-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C(C[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)N)CN=C(N)N

DOS

IR

Vibrations