Geometry & MOs

Info

ID:

316104

PubChem CID:

126630082

Reduced:

FO2N3C16H22 (2)

Stoich.:

AB2C3D16E22 (2)

Weight, g/mol:

559.232825

ΔHf, kcal/mol:

-216.34

Dipole, Da:

7.89

IP(EA), eV:

 -8.65(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dichloropropyl (3S)-1-[(2S)-2-[[(2S)-2-[[(3E)-5-imino-2,2-dimethylhepta-3,6-dienoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/CCC(CCC(N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)O)(F)F)C=C2

DOS

IR

Vibrations