Geometry & MOs

Info

ID:

315797

PubChem CID:

126628798

Reduced:

Cl3N3O7C30H34 (1)

Stoich.:

A3B3C7D30E34 (1)

Weight, g/mol:

708.199666

ΔHf, kcal/mol:

-294.23

Dipole, Da:

3.42

IP(EA), eV:

 -8.74(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[2-[[(E)-2-cyano-4-[2-[(1R)-1-hydroxyethyl]quinolin-7-yl]-2-methylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(C(=O)N1CCC[C@H](N1)C(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations