Geometry & MOs

Info

ID:	155796
PubChem CID:	56367578
Reduced:	SO3N5H19C23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	38.56
Dipole, Da:	6.54
IP(EA), eV:	-8.77(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclohexyl(methyl)sulfamoyl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3)N5C=NN=N5

DOS

IR

Vibrations