Geometry & MOs

Info

ID:	61886
PubChem CID:	26715424
Reduced:	S2N3O6C19H23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	479.154863
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	10.04
IP(EA), eV:	-9.36(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(methylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations