Geometry & MOs

Info

ID:	142864
PubChem CID:	53105194
Reduced:	SN2O5C21H30 (1)
Stoich.:	AB2C5D21E30 (1)
Weight, g/mol:	470.142405
ΔH_f, kcal/mol:	-196.73
Dipole, Da:	3.75
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,8-dioxo-2-propyl-6,7-dihydro-1H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C)S(=O)(=O)NCCCOC)OC(=C2C)C(=O)N3CCCCC3

DOS

IR

Vibrations