Geometry & MOs

Info

ID:

239767

PubChem CID:

93167002

Reduced:

ClN2S2O4C23H31 (1)

Stoich.:

AB2C2D4E23F31 (1)

Weight, g/mol:

511.286863

ΔHf, kcal/mol:

-149.93

Dipole, Da:

1.43

IP(EA), eV:

 -8.92(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CCC(C)C)CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2

DOS

IR

Vibrations