Geometry & MOs

Info

ID:	236832
PubChem CID:	92714882
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	473.178456
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	10.39
IP(EA), eV:	-8.55(-0.58)
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-fluoro-2-methylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C

DOS

IR

Vibrations