Geometry & MOs

Info

ID:	361753
PubChem CID:	127304569
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	345.118084
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	7.17
IP(EA), eV:	-9.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations