Geometry & MOs

Info

ID:	347373
PubChem CID:	127272222
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	15.6
Dipole, Da:	5.79
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)N[C@@H]4[C@@H](CC5=CC=CC=C45)O

DOS

IR

Vibrations