Geometry & MOs

Info

ID:	401413
PubChem CID:	135051198
Reduced:	NO5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	497.145261
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	1.57
IP(EA), eV:	-9.65(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-benzamido-3-(methylamino)-3-oxopropanethioyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations