Geometry & MOs

Info

ID:	41992
PubChem CID:	8148069
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	3.4
IP(EA), eV:	-9.13(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-2-[(1R)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(NC(=O)N1)CN(C)CC2=CC=C(C=C2)C)C(=O)OCC

DOS

IR

Vibrations