Geometry & MOs

Info

ID:	361767
PubChem CID:	127304614
Reduced:	NSO4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-154.45
Dipole, Da:	3.56
IP(EA), eV:	-9.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(2H-indazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations