Geometry & MOs

Info

ID:	68777
PubChem CID:	46509070
Reduced:	SO3N5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	489.129317
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	5.86
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)C4(CCCCC4)N(C3=O)C)C

DOS

IR

Vibrations