Geometry & MOs

Info

ID:

239822

PubChem CID:

93167075

Reduced:

SN2O4C29H36 (1)

Stoich.:

AB2C4D29E36 (1)

Weight, g/mol:

508.239579

ΔHf, kcal/mol:

-119.71

Dipole, Da:

3.87

IP(EA), eV:

 -8.84(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-methyl-N-[2-oxo-2-[(4S)-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)CC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)C(C)C)C=CS3

DOS

IR

Vibrations