Geometry & MOs

Info

ID:

322417

PubChem CID:

126670095

Reduced:

N2O3C15H20 (1)

Stoich.:

A2B3C15D20 (1)

Weight, g/mol:

689.314809

ΔHf, kcal/mol:

-19.97

Dipole, Da:

1.28

IP(EA), eV:

 -8.47(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[3-phenylsulfanyl-4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2([C@H]1CO2)C3=CC=C(C=C3)N

DOS

IR

Vibrations