Geometry & MOs

Info

ID:	148460
PubChem CID:	53788122
Reduced:	OSCl2N3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	21.15
Dipole, Da:	4.49
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(NC1=NN=CS1)OC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations