Geometry & MOs

Info

ID:	175729
PubChem CID:	75942200
Reduced:	SO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	462.20268
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	6.97
IP(EA), eV:	-8.5(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(2-thiomorpholin-4-ium-4-ylethyl)anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)CCN3CCSCC3

DOS

IR

Vibrations