Geometry & MOs

Info

ID:	361796
PubChem CID:	127304643
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-68.32
Dipole, Da:	8.51
IP(EA), eV:	-9.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCS(=O)(=O)CC3)C

DOS

IR

Vibrations