Geometry & MOs

Info

ID:

43915

PubChem CID:

10321976

Reduced:

NS2O5C23H25 (1)

Stoich.:

AB2C5D23E25 (1)

Weight, g/mol:

459.284555

ΔHf, kcal/mol:

-106.67

Dipole, Da:

8.73

IP(EA), eV:

 -9.46(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyano-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(C)C)S(=O)(=O)C3=CC=CC=[N+]3[O-]

DOS

IR

Vibrations