Geometry & MOs

Info

ID:

448900

PubChem CID:

135294386

Reduced:

OSN2C22H34 (1)

Stoich.:

ABC2D22E34 (1)

Weight, g/mol:

502.27261

ΔHf, kcal/mol:

-61.72

Dipole, Da:

3.39

IP(EA), eV:

 -8.5(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[1-[[(3S)-3-acetamido-3-(1,3-thiazol-2-yl)propyl]-[(E)-prop-1-enyl]amino]pentan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CC2CCC(C1)N2CC[C@@H](C3=CC(=CS3)C)NC(=O)C4CCCC4

DOS

IR

Vibrations