Geometry & MOs

Info

ID:	318946
PubChem CID:	126653795
Reduced:	F2N2O3C15H24 (1)
Stoich.:	A2B2C3D15E24 (1)
Weight, g/mol:	382.145948
ΔH_f, kcal/mol:	-266.04
Dipole, Da:	2.69
IP(EA), eV:	-9.53(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[[2-(2-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C(CNC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)F)F)C

DOS

IR

Vibrations