Geometry & MOs

Info

ID:

313615

PubChem CID:

126616645

Reduced:

ClO2N3C28H40 (1)

Stoich.:

AB2C3D28E40 (1)

Weight, g/mol:

449.304228

ΔHf, kcal/mol:

-123.19

Dipole, Da:

7.37

IP(EA), eV:

 -9.25(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC[C@H](C2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N)C(C)C.Cl

DOS

IR

Vibrations