Geometry & MOs

Info

ID:	49841
PubChem CID:	11533942
Reduced:	S2F3N3O5H20C23 (1)
Stoich.:	A2B3C3D5E20F23 (1)
Weight, g/mol:	539.228102
ΔH_f, kcal/mol:	-241.43
Dipole, Da:	4.98
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[5-(diaminomethylideneamino)pentanoylamino]-1,5-diphenylpyrazole-3-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations