Geometry & MOs

Info

ID:	314528
PubChem CID:	126622043
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	602.18139
ΔH_f, kcal/mol:	-142.99
Dipole, Da:	8.04
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzoylphenoxy)propyl-dimethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]azanium;bromide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

DOS

IR

Vibrations