Geometry & MOs

Info

ID:	376088
PubChem CID:	134222091
Reduced:	SN2O5C28H30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	497.243833
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	6.21
IP(EA), eV:	-8.63(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CCO/C(=C/C=C)/C=C\CCC2(C(=O)NC(=O)S2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations