Geometry & MOs

Info

ID:	122817
PubChem CID:	50823047
Reduced:	SO4N5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	8.42
IP(EA), eV:	-8.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-5-(2-methyl-5,8-dioxo-6,7-dihydro-1H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(4-methylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(NN4C3=NC(=O)CCC4=O)C)C

DOS

IR

Vibrations