Geometry & MOs

Info

ID:	42184
PubChem CID:	8149281
Reduced:	O2S2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	403.126243
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	2.28
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCCCN4CCCC4=O

DOS

IR

Vibrations