Geometry & MOs

Info

ID:	339651
PubChem CID:	127261641
Reduced:	SN5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	132.91
Dipole, Da:	2.1
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-benzo[e][1]benzofuran-1-ylideneamino]-3-butylthiourea

Drug info:

PubChemData

Smile

C/C(=N\NC(=S)NC1=CC=CC=N1)/C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations