Geometry & MOs

Info

ID:	318970
PubChem CID:	126653986
Reduced:	FO3N4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	407.03145
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	3.4
IP(EA), eV:	-8.57(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(4-bromo-5-methyl-1,3-thiazol-2-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)NC(=O)[C@@H]2C[C@H](CN2C(=O)OC(C)(C)C)F

DOS

IR

Vibrations