Geometry & MOs

Info

ID:	401347
PubChem CID:	135051029
Reduced:	NSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	483.129611
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	6.71
IP(EA), eV:	-9.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-amino-2-benzamido-3-oxopropanethioyl)-triphenylphosphanium

Drug info:

PubChemData

Smile

COC(=O)/C=C/CCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations