Geometry & MOs

Info

ID:	42532
PubChem CID:	8149670
Reduced:	OS2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	409.128255
ΔH_f, kcal/mol:	32.51
Dipole, Da:	1.47
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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