Geometry & MOs

Info

ID:	146761
PubChem CID:	53745392
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	402.246246
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	5.96
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,4R)-2-(3-azido-2-fluoropropyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C2=C(C3=CC=CC=C3N2C)C(=O)C(=O)N(CC)CC)C

DOS

IR

Vibrations