Geometry & MOs

Info

ID:	122868
PubChem CID:	50825000
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	4.02
IP(EA), eV:	-8.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethyl-5,8-dioxo-6,7-dihydro-1H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC(=O)CCC(=O)N2N1)C3=CC(=C(C=C3)C)S(=O)(=O)NC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations