Geometry & MOs

Info

ID:	42254
PubChem CID:	8149360
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	369.084379
ΔH_f, kcal/mol:	2.94
Dipole, Da:	2.15
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCC4=CN=CC=C4

DOS

IR

Vibrations