Geometry & MOs

Info

ID:	195468
PubChem CID:	78690324
Reduced:	SCl2O2N4H14C17 (1)
Stoich.:	AB2C2D4E14F17 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	11.71
Dipole, Da:	7.21
IP(EA), eV:	-9.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=S)NC1=CC(=CC(=C1)Cl)Cl)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations