Geometry & MOs

Info

ID:	185874
PubChem CID:	77364228
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	325.033956
ΔH_f, kcal/mol:	2.48
Dipole, Da:	3.2
IP(EA), eV:	-8.82(-0.56)
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-fluoroprop-2-enoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)C)N(C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations