Geometry & MOs

Info

ID:	336968
PubChem CID:	127256533
Reduced:	SN3O6C13H17 (1)
Stoich.:	AB3C6D13E17 (1)
Weight, g/mol:	383.945626
ΔH_f, kcal/mol:	-225.6
Dipole, Da:	3.93
IP(EA), eV:	-9.48(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4-trichloro-5-(2-chlorophenyl)-6-phenylphenol

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C(=O)NC(=S)C=N3)OC(O2)(C)C

DOS

IR

Vibrations