Geometry & MOs

Info

ID:	65132
PubChem CID:	29204510
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	484.178041
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	7.44
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)OCC3=CSC(=N3)C

DOS

IR

Vibrations