Geometry & MOs

Info

ID:	400990
PubChem CID:	135049664
Reduced:	ClNPH23C25 (1)
Stoich.:	ABCD23E25 (1)
Weight, g/mol:	290.010508
ΔH_f, kcal/mol:	64.47
Dipole, Da:	5.87
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl (2-hydroxy-4-oxo-4-thiophen-2-ylbutyl)sulfanylmethanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CC2=CC=CC=C2N)(C3=CC=CC=C3)(C4=CC=CC=C4)Cl

DOS

IR

Vibrations