Geometry & MOs

Info

ID:	42176
PubChem CID:	8149270
Reduced:	OS2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	409.128255
ΔH_f, kcal/mol:	26.13
Dipole, Da:	3.82
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(4-tert-butylanilino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations