Geometry & MOs

Info

ID:	49575
PubChem CID:	11533292
Reduced:	OF4N4H20C27 (1)
Stoich.:	AB4C4D20E27 (1)
Weight, g/mol:	492.16314
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	2.76
IP(EA), eV:	-9.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]-3-(2-fluorophenyl)sulfonylurea

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1NC(=O)C2=CC=C(C=C2)C#N)C(C3=CC=C(C=C3)C#N)C4=C(C=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations