Geometry & MOs

Info

ID:	357441
PubChem CID:	127294074
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	383.111519
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	5.99
IP(EA), eV:	-8.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-5-[3-oxo-3-(1,4-thiazepan-4-yl)propyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations