Geometry & MOs

Info

ID:	60482
PubChem CID:	26697073
Reduced:	FSN3O4C19H23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	414.185138
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753840
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations