Geometry & MOs

Info

ID:	156083
PubChem CID:	56369076
Reduced:	ClOS2N3C17H22 (1)
Stoich.:	ABC2D3E17F22 (1)
Weight, g/mol:	411.03492
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	4.27
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)NCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations