Geometry & MOs

Info

ID:	360950
PubChem CID:	127301781
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	326.039499
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	4.39
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations