Geometry & MOs

Info

ID:	37935
PubChem CID:	8025628
Reduced:	ClOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	361.053255
ΔH_f, kcal/mol:	52.22
Dipole, Da:	2.54
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(5-fluoro-2-nitrophenoxy)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NCCSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations