Geometry & MOs

Info

ID:	139391
PubChem CID:	52521955
Reduced:	ClSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	332.075012
ΔH_f, kcal/mol:	-48.83
Dipole, Da:	7.63
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NC2=CC(=CC(=C2)OC)OC)C

DOS

IR

Vibrations