Geometry & MOs

Info

ID:	404482
PubChem CID:	135066481
Reduced:	N2S2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	240.07212
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	9.78
IP(EA), eV:	-9.69(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-phenyl-5-thiophen-2-ylpyrazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)C2=C(N(N=C2C)S(=O)(=O)C3=CC=CC=C3C)C

DOS

IR

Vibrations