Geometry & MOs

Info

ID:	361800
PubChem CID:	127304706
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	303.071134
ΔH_f, kcal/mol:	-152.06
Dipole, Da:	2.9
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations