Geometry & MOs

Info

ID:	339637
PubChem CID:	127261627
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	304.94837
ΔH_f, kcal/mol:	13.59
Dipole, Da:	5.36
IP(EA), eV:	-8.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(4-iodophenyl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=N/NC(=S)N)/C2=CC=CC=C2)OC

DOS

IR

Vibrations