Geometry & MOs

Info

ID:	28774
PubChem CID:	829565
Reduced:	ClFN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	22.46
Dipole, Da:	2.51
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-2,7-dimethyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)Cl)N=CC3=CC(=CC=C3)F

DOS

IR

Vibrations