Geometry & MOs

Info

ID:	13840
PubChem CID:	399320
Reduced:	ClNOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	319.079763
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	2.3
IP(EA), eV:	-8.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-hydroxy-2-methyl-5-propan-2-ylbenzenecarboximidothioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=NC2=CC=C(C=C2)Cl)S)C(C)C)O

DOS

IR

Vibrations