Geometry & MOs

Info

ID:	169956
PubChem CID:	75174624
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	409.239913
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	3.12
IP(EA), eV:	-8.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-(3-methylbutyl)amino]methyl]-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(S2)NC(NC3=O)CN(CC4=CC=CC=C4)CC(COCC5=CC=CO5)O

DOS

IR

Vibrations