Geometry & MOs

Info

ID:	376240
PubChem CID:	134222250
Reduced:	FN2O2C9H17 (1)
Stoich.:	AB2C2D9E17 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-163.3
Dipole, Da:	1.64
IP(EA), eV:	-9.59(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-3-[[(6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)N)F

DOS

IR

Vibrations