Geometry & MOs

Info

ID:	41721
PubChem CID:	8146946
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	3.83
IP(EA), eV:	-8.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-2-[[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations