Geometry & MOs

Info

ID:

15948

PubChem CID:

456062

Reduced:

S2O5N6C38H56 (1)

Stoich.:

A2B5C6D38E56 (1)

Weight, g/mol:

740.375361

ΔHf, kcal/mol:

-240.67

Dipole, Da:

7.04

IP(EA), eV:

 -9.1(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S)-3-[[(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-2-hydroxypropyl]-N-tert-butyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)NC[C@@H](CN4C(C(SC4(C)C)(C)C)C(=O)NC(C)(C)C)O)C

DOS

IR

Vibrations