Geometry & MOs

Info

ID:	67357
PubChem CID:	46506341
Reduced:	SN3O5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	493.130757
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	6.26
IP(EA), eV:	-8.73(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-])SC5=C3CCCC5

DOS

IR

Vibrations