Geometry & MOs

Info

ID:	68501
PubChem CID:	46508536
Reduced:	BrFSN2O3C13H16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	459.074505
ΔH_f, kcal/mol:	-159.31
Dipole, Da:	4.98
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methyl-5-methylsulfonylanilino)ethanone

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)CNC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations