Geometry & MOs

Info

ID:	140289
PubChem CID:	52677320
Reduced:	ClSO2N3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	386.079309
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	4.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771217
Charge, e:	1

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfonylethyl-cyclopropyl-[(2,4-difluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC1[NH+](CC2=CC=C(C=C2)Cl)CC(=O)NC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations