Geometry & MOs

Info

ID:	316069
PubChem CID:	126629925
Reduced:	NF3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	683.204417
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	4.17
IP(EA), eV:	-9.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-2-[3-[5-[3-(1-hydroxyethyl)phenyl]pyridin-2-yl]propanoylamino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C=C/C=C/C=C\C(=N)CC(F)(F)F

DOS

IR

Vibrations