Geometry & MOs

Info

ID:	236834
PubChem CID:	92714896
Reduced:	ClSN3O4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	508.178041
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	10.54
IP(EA), eV:	-8.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[4-(1,2-oxazol-5-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC[C@H](C3)C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations