Geometry & MOs

Info

ID:	195010
PubChem CID:	78620092
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	333.070261
ΔH_f, kcal/mol:	40.48
Dipole, Da:	5.52
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)ethylideneamino]-3-(4-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CCC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=CC=CC=C2

DOS

IR

Vibrations