Geometry & MOs

Info

ID:	245127
PubChem CID:	99437679
Reduced:	BrSN2O5H17C18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	463.123563
ΔH_f, kcal/mol:	-148.01
Dipole, Da:	7.42
IP(EA), eV:	-8.77(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2C[C@@H](CC3=CC=CC=C32)C(=O)N

DOS

IR

Vibrations