Geometry & MOs

Info

ID:	347372
PubChem CID:	127272221
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	19.4
Dipole, Da:	5.27
IP(EA), eV:	-8.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=C2C3=C(CCC3)SC2=N1)N[C@@H]4[C@@H](CC5=CC=CC=C45)O

DOS

IR

Vibrations