Geometry & MOs

Info

ID:	42842
PubChem CID:	8150084
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	393.096955
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	3.15
IP(EA), eV:	-8.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(2,3-dihydro-1H-inden-5-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=C(CCC4)C=C3)C

DOS

IR

Vibrations