Geometry & MOs

Info

ID:	39321
PubChem CID:	8140262
Reduced:	SO3N5H13C19 (1)
Stoich.:	AB3C5D13E19 (1)
Weight, g/mol:	432.232088
ΔH_f, kcal/mol:	18.05
Dipole, Da:	4.66
IP(EA), eV:	-9.19(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

DOS

IR

Vibrations