Geometry & MOs

Info

ID:

15912

PubChem CID:

454967

Reduced:

SO3N4C24H29 (2)

Stoich.:

AB3C4D24E29 (2)

Weight, g/mol:

906.392074

ΔHf, kcal/mol:

-183.57

Dipole, Da:

7.3

IP(EA), eV:

 -8.94(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-2-[(1R)-2-(ethylamino)-2-oxo-1-[(2-phenylbenzoyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-(ethylamino)-2-oxo-1-[(2-phenylbenzoyl)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)C3=CC=CC=C3C4=CC=CC=C4)(C)C)NC(=O)C5=CC=CC=C5C6=CC=CC=C6

DOS

IR

Vibrations