Geometry & MOs

Info

ID:

322792

PubChem CID:

126671133

Reduced:

PN4O9C15H19 (1)

Stoich.:

AB4C9D15E19 (1)

Weight, g/mol:

629.311438

ΔHf, kcal/mol:

-289.89

Dipole, Da:

7.95

IP(EA), eV:

 -9.52(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=NN(C(=C1)[N+](=O)[O-])CC2=CC(=C(C(=C2)OC)OP(=O)(O)O)OC

DOS

IR

Vibrations