Geometry & MOs

Info

ID:	122865
PubChem CID:	50824973
Reduced:	SN4O5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	468.146741
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	3.2
IP(EA), eV:	-8.63(-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)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C3=C(NN4C3=NC(=O)CCC4=O)C)OC

DOS

IR

Vibrations