Geometry & MOs

Info

ID:	339648
PubChem CID:	127261638
Reduced:	SN5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	247.041548
ΔH_f, kcal/mol:	180.9
Dipole, Da:	3.53
IP(EA), eV:	-9.18(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/NC(=S)NN/C=C/3\C=NC4=CC=CC=C43)/C=N2

DOS

IR

Vibrations