Geometry & MOs

Info

ID:	175795
PubChem CID:	75948882
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	422.0509
ΔH_f, kcal/mol:	-54.58
Dipole, Da:	9.61
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations