Geometry & MOs

Info

ID:

316186

PubChem CID:

126630330

Reduced:

N5O6C31H43 (1)

Stoich.:

A5B6C31D43 (1)

Weight, g/mol:

960.293566

ΔHf, kcal/mol:

-226.55

Dipole, Da:

6.41

IP(EA), eV:

 -9.12(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)[C@@H](C)O)C(C)C)O)(C)C)C=C2

DOS

IR

Vibrations