Geometry & MOs

Info

ID:

239826

PubChem CID:

93167080

Reduced:

SN2O4C31H32 (1)

Stoich.:

AB2C4D31E32 (1)

Weight, g/mol:

492.208279

ΔHf, kcal/mol:

-69.09

Dipole, Da:

2.05

IP(EA), eV:

 -8.49(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CC4=CC=CO4)C(=O)C5=CC=CC=C5)SC=C3

DOS

IR

Vibrations