Geometry & MOs

Info

ID:	28722
PubChem CID:	829171
Reduced:	ClOSN3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	48.41
Dipole, Da:	6.33
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-(1-phenylethylideneamino)thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=S)NN=CC2=CC=CC=C2Cl

DOS

IR

Vibrations