Geometry & MOs

Info

ID:	361780
PubChem CID:	127304627
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	4.24
IP(EA), eV:	-9.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations