Geometry & MOs

Info

ID:	73466
PubChem CID:	48417791
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-130.93
Dipole, Da:	5.88
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylaminomethyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)CN(C)C(=O)C2=CC=CS2

DOS

IR

Vibrations