Geometry & MOs

Info

ID:	42533
PubChem CID:	8149672
Reduced:	OS2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	410.13608
ΔH_f, kcal/mol:	31.72
Dipole, Da:	4.73
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)N[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations