Geometry & MOs

Info

ID:	122864
PubChem CID:	50824972
Reduced:	ClSN4O4C17H19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	468.146741
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	6.74
IP(EA), eV:	-9.21(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNS(=O)(=O)C1=C(C=CC(=C1)C2=C(NN3C2=NC(=O)CCC3=O)C)Cl

DOS

IR

Vibrations