Geometry & MOs

Info

ID:

234369

PubChem CID:

92298278

Reduced:

ClN4O6C29H33 (1)

Stoich.:

AB4C6D29E33 (1)

Weight, g/mol:

546.24131

ΔHf, kcal/mol:

-187.52

Dipole, Da:

5.72

IP(EA), eV:

 -9.56(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-1-(1H-indol-3-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)[C@@H](C1=CC=CC=C1Cl)N(C2=CC=C(C=C2)C(=O)OC)C(=O)CCC(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations