Geometry & MOs

Info

ID:	137063
PubChem CID:	52147938
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	10.4
Dipole, Da:	4.32
IP(EA), eV:	-8.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-oxolan-2-yl]methylamino]-3-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N=C1NCCCN3C=CC=N3)SC4=C2CCCC4

DOS

IR

Vibrations