Geometry & MOs

Info

ID:	318942
PubChem CID:	126653788
Reduced:	O3F6C8H8 (2)
Stoich.:	A3B6C8D8 (2)
Weight, g/mol:	422.04529
ΔH_f, kcal/mol:	-895.38
Dipole, Da:	5.33
IP(EA), eV:	-11.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(3-bromo-2,4-difluorophenyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(CC)C(=O)OC(C(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations