Geometry & MOs

Info

ID:	361799
PubChem CID:	127304646
Reduced:	SN3O5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	367.156577
ΔH_f, kcal/mol:	-223.3
Dipole, Da:	4.64
IP(EA), eV:	-8.9(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations