Geometry & MOs

Info

ID:	395984
PubChem CID:	135027129
Reduced:	PSN3O3C16H20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	884.05519
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	4.89
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C1=C(N2C(=NC=N2)S1)C3=CC=CC=C3)OC(C)C

DOS

IR

Vibrations