Geometry & MOs

Info

ID:	42425
PubChem CID:	8149541
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	335.137123
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	7.41
IP(EA), eV:	-8.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(1S)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations