Geometry & MOs

Info

ID:	236831
PubChem CID:	92714875
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	483.219178
ΔH_f, kcal/mol:	-204.92
Dipole, Da:	10.49
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC[C@@H](C3)C(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations