Geometry & MOs

Info

ID:

230957

PubChem CID:

87572329

Reduced:

NO5C27H51 (1)

Stoich.:

AB5C27D51 (1)

Weight, g/mol:

1031.538144

ΔHf, kcal/mol:

-337.47

Dipole, Da:

2.28

IP(EA), eV:

 -10.1(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[(2R,5R)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-[4-(6-morpholin-4-ylpyridin-3-yl)phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC(CCC(=O)OC(C)CC)C(=O)OC(C)CC

DOS

IR

Vibrations