Geometry & MOs

Info

ID:	170120
PubChem CID:	75198865
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	455.058518
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	1.43
IP(EA), eV:	-9.29(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2)NC(=O)C3CCC(=O)NN3

DOS

IR

Vibrations