Geometry & MOs

Info

ID:	33746
PubChem CID:	7887925
Reduced:	FN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	337.07074
ΔH_f, kcal/mol:	-152.83
Dipole, Da:	3.82
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC(=O)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations