Geometry & MOs

Info

ID:	302730
PubChem CID:	124393787
Reduced:	SN3O5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-167.77
Dipole, Da:	3.59
IP(EA), eV:	-8.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[2-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCCC4

DOS

IR

Vibrations