Geometry & MOs

Info

ID:

230590

PubChem CID:

87571440

Reduced:

O2N3H6C7 (2)

Stoich.:

A2B3C6D7 (2)

Weight, g/mol:

937.446215

ΔHf, kcal/mol:

28.46

Dipole, Da:

14.94

IP(EA), eV:

 -8.77(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[(2S,5S)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1N/C(=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])/C=N2)N

DOS

IR

Vibrations