Geometry & MOs

Info

ID:	314998
PubChem CID:	126624150
Reduced:	BrSN2O3C20H31 (1)
Stoich.:	ABC2D3E20F31 (1)
Weight, g/mol:	511.286863
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	3.13
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[4-(3-methoxyazetidin-1-yl)cyclohexyl]ethyl]-5-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N2CC(C2)OCC)C3=C(C(=C(S3)Br)C(=O)OC)C

DOS

IR

Vibrations