Geometry & MOs

Info

ID:	124117
PubChem CID:	50872812
Reduced:	NS2O3H25C30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	543.96203
ΔH_f, kcal/mol:	9.28
Dipole, Da:	2.9
IP(EA), eV:	-8.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OCC4=CC=CC5=CC=CC=C54)OC)/SC2=S)C

DOS

IR

Vibrations