Geometry & MOs

Info

ID:	33559
PubChem CID:	7886973
Reduced:	N4O5C16H18 (1)
Stoich.:	A4B5C16D18 (1)
Weight, g/mol:	393.01726
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	3.31
IP(EA), eV:	-9.47(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=O)N(C(=O)N(C1=O)CC(=O)NCC2=CC=CO2)CC=C

DOS

IR

Vibrations