Geometry & MOs

Info

ID:	425398
PubChem CID:	135126192
Reduced:	BrNO2F4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	614.02465
ΔH_f, kcal/mol:	-267.64
Dipole, Da:	4.84
IP(EA), eV:	-10.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-4-(benzoylcarbamothioylamino)-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methyl imidazole-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@@]([C@H]([C@@H](O1)C(F)(F)F)CO)(C2=C(C=CC(=C2)Br)F)N

DOS

IR

Vibrations