Geometry & MOs

Info

ID:	33203
PubChem CID:	7885385
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-226.99
Dipole, Da:	8.86
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations