Geometry & MOs

Info

ID:	339291
PubChem CID:	127261125
Reduced:	ClN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	241.044046
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	2.62
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-ethanimidoyl-1-methylthiourea

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)OC/C(=N/OC(=O)CC3=CC=C(C=C3)Cl)/N)N=CC=C2

DOS

IR

Vibrations