Geometry & MOs

Info

ID:	122871
PubChem CID:	50825003
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	392.115441
ΔH_f, kcal/mol:	-104.67
Dipole, Da:	4.04
IP(EA), eV:	-8.36(-1.24)
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-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC(=O)CCC(=O)N2N1)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations