Geometry & MOs

Info

ID:

15910

PubChem CID:

454960

Reduced:

SO3N4C23H29 (2)

Stoich.:

AB3C4D23E29 (2)

Weight, g/mol:

882.392074

ΔHf, kcal/mol:

-245.59

Dipole, Da:

8.88

IP(EA), eV:

 -8.59(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-2-[(1R)-2-(ethylamino)-1-[(2-naphthalen-2-ylacetyl)amino]-2-oxoethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-(ethylamino)-1-[(2-naphthalen-2-ylacetyl)amino]-2-oxoethyl]-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=CC4=CC=CC=C4C=C3)(C)C)NC(=O)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations