Geometry & MOs

Info

ID:	170364
PubChem CID:	75221499
Reduced:	SN4O5C18H26 (1)
Stoich.:	AB4C5D18E26 (1)
Weight, g/mol:	441.052608
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	8.63
IP(EA), eV:	-9.21(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2)C3CCCCC3

DOS

IR

Vibrations