Geometry & MOs

Info

ID:

231086

PubChem CID:

87572599

Reduced:

NO2C19H24 (2)

Stoich.:

AB2C19D24 (2)

Weight, g/mol:

951.435376

ΔHf, kcal/mol:

-133.57

Dipole, Da:

4.42

IP(EA), eV:

 -8.74(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3-methoxy-1-[(2S)-2-[[4-[(2R,5R)-5-[4-[[1-[(2S)-3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N/OCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)/C(C1CC[C@@H]6[C@@H]2CC[C@]7([C@H]6CCC7=O)C)(C)C

DOS

IR

Vibrations