Geometry & MOs

Info

ID:	409021
PubChem CID:	135081795
Reduced:	NOH28C30 (1)
Stoich.:	ABC28D30 (1)
Weight, g/mol:	335.147273
ΔH_f, kcal/mol:	65.01
Dipole, Da:	3.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.653507
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-oxido-phenyl-sulfanylidene-lambda5-phosphane;1-phenylethylazanium

Drug info:

PubChemData

Smile

C[N+](=C1C=CC2=C(CCCC2=C1)C=C3C=C(OC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations