Geometry & MOs

Info

ID:	271548
PubChem CID:	103683173
Reduced:	IN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	263.119129
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	3.47
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(1,1-dioxo-1,4-thiazepan-4-yl)acetate

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations