Geometry & MOs

Info

ID:	42604
PubChem CID:	8149761
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	398.099694
ΔH_f, kcal/mol:	7.19
Dipole, Da:	5.38
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl-[(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)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations