Geometry & MOs

Info

ID:	236833
PubChem CID:	92714893
Reduced:	FSN3O4C24H28 (1)
Stoich.:	ABC3D4E24F28 (1)
Weight, g/mol:	475.133255
ΔH_f, kcal/mol:	-192.19
Dipole, Da:	9.59
IP(EA), eV:	-8.64(-0.89)
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-(2-chlorophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C

DOS

IR

Vibrations