Geometry & MOs

Info

ID:	42079
PubChem CID:	8149156
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	403.081305
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	4.15
IP(EA), eV:	-8.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(naphthalen-2-ylamino)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=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations