Geometry & MOs

Info

ID:	243647
PubChem CID:	99233626
Reduced:	N4O5C24H34 (1)
Stoich.:	A4B5C24D34 (1)
Weight, g/mol:	442.22162
ΔH_f, kcal/mol:	-175.48
Dipole, Da:	4.6
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-[(4-oxo-1H-quinoline-3-carbonyl)amino]acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations