Geometry & MOs

Info

ID:	129580
PubChem CID:	51073170
Reduced:	FNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-127.72
Dipole, Da:	5.18
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC2CCOC3=CC=CC=C23)F

DOS

IR

Vibrations