Geometry & MOs

Info

ID:	52414
PubChem CID:	12015273
Reduced:	BrS2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	358.9728
ΔH_f, kcal/mol:	116.91
Dipole, Da:	3.37
IP(EA), eV:	-9.21(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-imino-3-phenyl-5-sulfanylideneimidazolidin-2-one

Drug info:

PubChemData

Smile

C=CCN1C(=N)C(=S)N(C1=S)C2=CC=C(C=C2)Br

DOS

IR

Vibrations