Geometry & MOs

Info

ID:	42182
PubChem CID:	8149279
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	403.126243
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	3.98
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-oxopyrrolidin-1-yl)propyl-[(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCCCN4CCCC4=O

DOS

IR

Vibrations