Geometry & MOs

Info

ID:	339647
PubChem CID:	127261637
Reduced:	SCl2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	345.104817
ΔH_f, kcal/mol:	24.43
Dipole, Da:	5.96
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-indol-3-ylidenemethyl]-3-[[(Z)-indol-3-ylidenemethyl]amino]thiourea

Drug info:

PubChemData

Smile

C1CCC(CC1)/C(=N/NC(=S)N)/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations