Geometry & MOs

Info

ID:	361815
PubChem CID:	127304721
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-155.16
Dipole, Da:	7.36
IP(EA), eV:	-9.8(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[1-(2-methylpropyl)indol-3-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1CCCS(=O)(=O)CC1

DOS

IR

Vibrations