Geometry & MOs

Info

ID:	178218
PubChem CID:	76297614
Reduced:	SN3O6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-198.61
Dipole, Da:	9.4
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2CCC(CC2NC1=S)C(=O)NCC(COC3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations