Geometry & MOs

Info

ID:

239473

PubChem CID:

93166544

Reduced:

ClSN2O3C25H33 (1)

Stoich.:

ABC2D3E25F33 (1)

Weight, g/mol:

516.130813

ΔHf, kcal/mol:

-128.72

Dipole, Da:

3.72

IP(EA), eV:

 -8.72(-0.24)

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)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations