Geometry & MOs

Info

ID:

316078

PubChem CID:

126629959

Reduced:

N5O6C29H39 (1)

Stoich.:

A5B6C29D39 (1)

Weight, g/mol:

681.225153

ΔHf, kcal/mol:

-227.75

Dipole, Da:

4.65

IP(EA), eV:

 -9.31(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-3-methyl-2-[3-[6-(3-propan-2-ylphenyl)pyridin-3-yl]propanoylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC(=C1)C2=NC=C(C=C2)CCC(=O)NC(C(C)C)C(=O)NC(C)C(=O)N3CCCC(N3)C(=O)O)O

DOS

IR

Vibrations