Geometry & MOs

Info

ID:	13696
PubChem CID:	396960
Reduced:	O2S2N3H19C24 (1)
Stoich.:	A2B2C3D19E24 (1)
Weight, g/mol:	445.091869
ΔH_f, kcal/mol:	57.77
Dipole, Da:	7.11
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzoyl-2-sulfanylideneimidazolidine-1-carbothioyl)-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1CN(C(=S)N1C(=O)C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations