Geometry & MOs

Info

ID:

321069

PubChem CID:

126664625

Reduced:

ClFSN4O6C33H46 (1)

Stoich.:

ABCD4E6F33G46 (1)

Weight, g/mol:

388.035016

ΔHf, kcal/mol:

-276.55

Dipole, Da:

6.52

IP(EA), eV:

 -8.97(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-azido-3-(4-chloro-3-fluorophenyl)-3-[5-(trifluoromethyl)pyridin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](O1)C)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)N(C)C(=O)O

DOS

IR

Vibrations