Geometry & MOs

Info

ID:	167690
PubChem CID:	74858913
Reduced:	SN3O5C28H35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	495.219178
ΔH_f, kcal/mol:	-159.52
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[benzyl-(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)CN(CC3=CC=CC=C3)CC(COCC4=CC=CC=C4)O)C

DOS

IR

Vibrations