Geometry & MOs

Info

ID:	225831
PubChem CID:	87226500
Reduced:	FBr2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	431.162725
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	3.73
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-methyl-3-(4-methylsulfonylindol-2-ylidene)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)CBr)OCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations