Geometry & MOs

Info

ID:

316076

PubChem CID:

126629955

Reduced:

O5C18H30 (1)

Stoich.:

A5B18C30 (1)

Weight, g/mol:

683.204417

ΔHf, kcal/mol:

-234.22

Dipole, Da:

1.16

IP(EA), eV:

 -9.84(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[2-[3-[6-[3-[(1R)-1-hydroxyethyl]phenyl]pyridin-3-yl]propanoylamino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(COC(=O)C(=C)C)OCC(C)(CC)OC(=O)C(=C)C

DOS

IR

Vibrations