Geometry & MOs

Info

ID:	33205
PubChem CID:	7885389
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	4.5
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N4CCCC[C@@H]4C

DOS

IR

Vibrations