Geometry & MOs

Info

ID:	376125
PubChem CID:	134222128
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	9.13
IP(EA), eV:	-8.73(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C[C@@H](O1)C(=O)NC2CCN(CC2)CC(=O)N)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations