Geometry & MOs

Info

ID:	42253
PubChem CID:	8149358
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	2.56
Dipole, Da:	3.41
IP(EA), eV:	-8.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-methyl-2-[(1S)-1-(pyridin-3-ylmethylamino)ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCC4=CN=CC=C4

DOS

IR

Vibrations