Geometry & MOs

Info

ID:	42175
PubChem CID:	8149269
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	409.128255
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	5.62
IP(EA), eV:	-8.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)NC3=CC=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations