Geometry & MOs

Info

ID:	167670
PubChem CID:	74856425
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	443.115594
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	4.93
IP(EA), eV:	-8.84(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C=CC(=O)C2=C(NC3=CC=CC=C32)C)C(=O)C

DOS

IR

Vibrations