Geometry & MOs

Info

ID:	379681
PubChem CID:	134456203
Reduced:	SF3O4N6C23H23 (1)
Stoich.:	AB3C4D6E23F23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-201.04
Dipole, Da:	10.14
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyclopropyl-5-methylpyrazol-4-yl)-2-methylsulfonylaniline

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC(=O)[C@H]5C[C@H]5F)S(=O)(=O)C)C

DOS

IR

Vibrations