Geometry & MOs

Info

ID:	209562
PubChem CID:	80688153
Reduced:	OSCl2N2H8C13 (1)
Stoich.:	ABC2D2E8F13 (1)
Weight, g/mol:	246.022976
ΔH_f, kcal/mol:	42.84
Dipole, Da:	4.12
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)OC3=NC(=C(S3)CCl)Cl)N=CC=C2

DOS

IR

Vibrations