Geometry & MOs

Info

ID:	194314
PubChem CID:	78514343
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	1.98
IP(EA), eV:	-9.44(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2,5-dimethyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations