Geometry & MOs

Info

ID:

191849

PubChem CID:

78194545

Reduced:

IO4C16H21 (1)

Stoich.:

AB4C16D21 (1)

Weight, g/mol:

727.23457

ΔHf, kcal/mol:

-118.21

Dipole, Da:

5.37

IP(EA), eV:

 -9.57(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-amino-4-oxobutan-2-yl)-3-[2-hydroxy-3-[[3-methylsulfonyl-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC12CCCC(C1C=CC3(C2CC(=O)O3)CI)(C)C(=O)O

DOS

IR

Vibrations