Geometry & MOs

Info

ID:	318968
PubChem CID:	126653972
Reduced:	BrFO3N4C19H28 (1)
Stoich.:	ABC3D4E19F28 (1)
Weight, g/mol:	380.147153
ΔH_f, kcal/mol:	-189.25
Dipole, Da:	1.69
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-4-fluoro-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@@](CN2C(=O)OC(C)(C)C)(CN(C)C)F

DOS

IR

Vibrations