Geometry & MOs

Info

ID:	156134
PubChem CID:	56369276
Reduced:	S2N4O4C23H30 (1)
Stoich.:	A2B4C4D23E30 (1)
Weight, g/mol:	429.08187
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	5.29
IP(EA), eV:	-8.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-chloropyridine-3-carbonyl)-N-hexylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations