Geometry & MOs

Info

ID:	33744
PubChem CID:	7887923
Reduced:	FNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	385.037726
ΔH_f, kcal/mol:	-156.81
Dipole, Da:	4.28
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations