Geometry & MOs

Info

ID:	122873
PubChem CID:	50825005
Reduced:	SN4O6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	486.137319
ΔH_f, kcal/mol:	-148.38
Dipole, Da:	1.63
IP(EA), eV:	-8.91(-1.17)
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)-N-(4-fluoro-2-methylphenyl)-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC(=O)CCC(=O)N2N1)C3=CC(=C(C=C3)OC)S(=O)(=O)NCC4=CC=C(O4)C

DOS

IR

Vibrations