Geometry & MOs

Info

ID:	447297
PubChem CID:	135281812
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	513.263899
ΔH_f, kcal/mol:	13.16
Dipole, Da:	2.35
IP(EA), eV:	-10.25(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxopyridin-1-yl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1[C@H](CC=O)C2=CC=NC=C2

DOS

IR

Vibrations