Geometry & MOs

Info

ID:

234366

PubChem CID:

92298274

Reduced:

SN5O6C26H29 (1)

Stoich.:

AB5C6D26E29 (1)

Weight, g/mol:

567.215155

ΔHf, kcal/mol:

-167.69

Dipole, Da:

1.16

IP(EA), eV:

 -8.66(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-N-[(1R)-1-(4-ethoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)OC)N(C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations