Geometry & MOs

Info

ID:	122869
PubChem CID:	50825001
Reduced:	SN4O4C23H24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	5.65
IP(EA), eV:	-8.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-(2-ethyl-5,8-dioxo-6,7-dihydro-1H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC(=O)CCC(=O)N2N1)C3=CC(=C(C=C3)C)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations