Geometry & MOs

Info

ID:	175985
PubChem CID:	75978512
Reduced:	FSO3N5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	462.136664
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	8.84
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-methyl-[1-(3-sulfamoylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations