Geometry & MOs

Info

ID:	214225
PubChem CID:	84974701
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	373.09155
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	7.34
IP(EA), eV:	-7.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-(3-phenylprop-2-enyl)azanium

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN(C)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations