Geometry & MOs

Info

ID:	156632
PubChem CID:	56371436
Reduced:	BrNSO5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	372.08116
ΔH_f, kcal/mol:	-161.4
Dipole, Da:	3.27
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC2=C1C=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations