Geometry & MOs

Info

ID:

239475

PubChem CID:

93166546

Reduced:

ClN2S2O3C26H29 (1)

Stoich.:

AB2C2D3E26F29 (1)

Weight, g/mol:

474.174392

ΔHf, kcal/mol:

-77.65

Dipole, Da:

2.46

IP(EA), eV:

 -8.83(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CC(C)C)C(=O)C4=CC=CS4)SC=C3)Cl

DOS

IR

Vibrations