Geometry & MOs

Info

ID:	173312
PubChem CID:	75622651
Reduced:	ClSN4O4C17H24 (1)
Stoich.:	ABC4D4E17F24 (1)
Weight, g/mol:	380.164402
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	2.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754413
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3C=[N+](C(=O)N(C3=O)C)C.Cl

DOS

IR

Vibrations