Geometry & MOs

Info

ID:	443604
PubChem CID:	135259455
Reduced:	ION2S2C7H13 (1)
Stoich.:	ABC2D2E7F13 (1)
Weight, g/mol:	563.245392
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	3.47
IP(EA), eV:	-8.7(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yloxy)-2-(2-methoxyphenyl)ethyl]-3-tert-butyl-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)NI)NC1CCSSC1

DOS

IR

Vibrations