Geometry & MOs

Info

ID:	155821
PubChem CID:	56367691
Reduced:	SO2N6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	445.041853
ΔH_f, kcal/mol:	17.8
Dipole, Da:	7.08
IP(EA), eV:	-9.04(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations