Geometry & MOs

Info

ID:	323888
PubChem CID:	126676456
Reduced:	SCl2N8H22C26 (1)
Stoich.:	AB2C8D22E26 (1)
Weight, g/mol:	252.01087
ΔH_f, kcal/mol:	162.87
Dipole, Da:	3.89
IP(EA), eV:	-8.55(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-chlorophenyl)-5-methylphenol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)CN3C=C(C=N3)CC4=CC(=NC(=C4N=NC5=CC=C(C=C5)Cl)N)N

DOS

IR

Vibrations