Geometry & MOs

Info

ID:

239806

PubChem CID:

93167048

Reduced:

N2S2O4C27H32 (1)

Stoich.:

A2B2C4D27E32 (1)

Weight, g/mol:

486.255229

ΔHf, kcal/mol:

-101.33

Dipole, Da:

1.63

IP(EA), eV:

 -8.59(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-methyl-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CCOC)C(=O)C4=CC=CS4)SC=C3

DOS

IR

Vibrations