Geometry & MOs

Info

ID:	44589
PubChem CID:	10504239
Reduced:	SN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	461.26143
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010008
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylamino)-2-oxo-1-phenylethyl]-tributylphosphanium;chloride

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C(=C1)C)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C

DOS

IR

Vibrations