Geometry & MOs

Info

ID:	175727
PubChem CID:	75942170
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	440.237174
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	2.51
IP(EA), eV:	-8.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-N-[3-methyl-1-oxo-1-[4-(2-thiomorpholin-4-ium-4-ylethyl)anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CN4CCSCC4

DOS

IR

Vibrations