Geometry & MOs

Info

ID:

228292

PubChem CID:

87563827

Reduced:

NO2C11H22 (2)

Stoich.:

AB2C11D22 (2)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-260.94

Dipole, Da:

2.01

IP(EA), eV:

 -9.65(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3,3-dimethyl-4-oxo-1-[(2S)-2-[[4-[[N-[[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(C(C=O)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations