Geometry & MOs

Info

ID:

17716

PubChem CID:

514461

Reduced:

SN3O5C34H39 (1)

Stoich.:

AB3C5D34E39 (1)

Weight, g/mol:

601.261043

ΔHf, kcal/mol:

-175.97

Dipole, Da:

2.41

IP(EA), eV:

 -9.0(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@@H]4CCCC5=CC=CC=C45)(C)C)O

DOS

IR

Vibrations