Geometry & MOs

Info

ID:	60872
PubChem CID:	26702768
Reduced:	ClSN3O4H16C22 (1)
Stoich.:	ABC3D4E16F22 (1)
Weight, g/mol:	416.067822
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	1.73
IP(EA), eV:	-8.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations