Geometry & MOs

Info

ID:	195909
PubChem CID:	78747679
Reduced:	ClSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	402.102728
ΔH_f, kcal/mol:	59.65
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.041409
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=S)NCC(C2=CC=CC=C2Cl)[NH+](C)C

DOS

IR

Vibrations