Geometry & MOs

Info

ID:	195469
PubChem CID:	78690325
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	421.12269
ΔH_f, kcal/mol:	7.75
Dipole, Da:	3.13
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)propanoylamino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C(C)OC2=CC=C(C=C2)C#N)C

DOS

IR

Vibrations