Geometry & MOs

Info

ID:

44716

PubChem CID:

10505519

Reduced:

NSO7C26H29 (1)

Stoich.:

ABC7D26E29 (1)

Weight, g/mol:

499.398522

ΔHf, kcal/mol:

-243.73

Dipole, Da:

3.0

IP(EA), eV:

 -8.52(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxy-2-methylundecan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CCSC1=C(N2C=CC=C(C2=C1C(=O)OCC)OCC3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations