Geometry & MOs

Info

ID:	61425
PubChem CID:	26709165
Reduced:	ClSO3N5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	462.06465
ΔH_f, kcal/mol:	-4.32
Dipole, Da:	6.57
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)sulfonyl-N-cyclooctylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations