Geometry & MOs

Info

ID:	40384
PubChem CID:	8144023
Reduced:	SN2O2H22C25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	405.141893
ΔH_f, kcal/mol:	-6.48
Dipole, Da:	4.38
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl]-methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)CS[C@]23C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations