Geometry & MOs

Info

ID:	127442
PubChem CID:	51002493
Reduced:	SN3O4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	398.040438
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	6.92
IP(EA), eV:	-8.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[3-(4-cyanophenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CCOC2=CC3=C(C=C2)C(=C(C3=O)C4=CN=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations