Geometry & MOs

Info

ID:	381542
PubChem CID:	134972310
Reduced:	BrOF5H8C10 (1)
Stoich.:	ABC5D8E10 (1)
Weight, g/mol:	557.223652
ΔH_f, kcal/mol:	-234.92
Dipole, Da:	4.7
IP(EA), eV:	-10.31(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S,4S)-2-[(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylidenebut-3-enyl]-2-hydroxy-4-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]pentanedioate

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C(O3)(C(F)(F)F)C(F)(F)Br

DOS

IR

Vibrations