Geometry & MOs

Info

ID:	245086
PubChem CID:	99437412
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	476.152969
ΔH_f, kcal/mol:	-41.22
Dipole, Da:	4.62
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[2-[(4-fluorophenyl)methylsulfamoyl]ethylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NCCNC(=O)C2=CN3C=CN=C3C=C2

DOS

IR

Vibrations