Geometry & MOs

Info

ID:	170721
PubChem CID:	75271408
Reduced:	SN4O5H19C23 (1)
Stoich.:	AB4C5D19E23 (1)
Weight, g/mol:	464.115441
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.919720
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)C3C(=[N+](C2=O)CC4=NC(=NO4)C5=CC=CC=C5OC)C=CS3

DOS

IR

Vibrations