Geometry & MOs

Info

ID:	52423
PubChem CID:	12015283
Reduced:	OSN3H23C29 (1)
Stoich.:	ABC3D23E29 (1)
Weight, g/mol:	401.01975
ΔH_f, kcal/mol:	99.49
Dipole, Da:	1.92
IP(EA), eV:	-8.2(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\C(=S)N(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)NC5=CC=CC=C5

DOS

IR

Vibrations