Geometry & MOs

Info

ID:	122867
PubChem CID:	50824999
Reduced:	ClSN4O4C23H23 (1)
Stoich.:	ABC4D4E23F23 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	1.7
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations