Geometry & MOs

Info

ID:

311950

PubChem CID:

126599432

Reduced:

NO4C8H15 (1)

Stoich.:

AB4C8D15 (1)

Weight, g/mol:

723.364536

ΔHf, kcal/mol:

-161.45

Dipole, Da:

2.45

IP(EA), eV:

-10.26(-0.1)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[(1S)-1-[5-[3-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-3-methylidenepyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-oxazol-5-yl]phenyl]-1H-imidazol-2-yl]ethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCOCOCC(=N)C(=O)OCC

DOS

IR

Vibrations