Geometry & MOs

Info

ID:

428548

PubChem CID:

135167662

Reduced:

SO3N4C28H36 (1)

Stoich.:

AB3C4D28E36 (1)

Weight, g/mol:

484.250812

ΔHf, kcal/mol:

-45.9

Dipole, Da:

2.68

IP(EA), eV:

 -8.67(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=C)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O

DOS

IR

Vibrations