Geometry & MOs

Info

ID:

15911

PubChem CID:

454961

Reduced:

SO3N5C18H26 (2)

Stoich.:

AB3C5D18E26 (2)

Weight, g/mol:

784.351272

ΔHf, kcal/mol:

-253.36

Dipole, Da:

12.35

IP(EA), eV:

 -8.98(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-2-[(1R)-2-(ethylamino)-2-oxo-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-(ethylamino)-2-oxo-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)NCCNC(=O)[C@H]2C(S[C@@H](N2)[C@@H](C(=O)NCC)NC(=O)CC3=CC=CC=N3)(C)C)NC(=O)CC4=CC=CC=N4

DOS

IR

Vibrations