Geometry & MOs

Info

ID:	33223
PubChem CID:	7885483
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-180.73
Dipole, Da:	5.02
IP(EA), eV:	-9.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C)C

DOS

IR

Vibrations