Geometry & MOs

Info

ID:

234361

PubChem CID:

92298262

Reduced:

FSN5O5C26H30 (1)

Stoich.:

ABC5D5E26F30 (1)

Weight, g/mol:

527.163868

ΔHf, kcal/mol:

-192.78

Dipole, Da:

6.75

IP(EA), eV:

 -8.54(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[(1R)-1-(4-fluorophenyl)-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)F)N(C2=C(C=C(C=C2)OC)OC)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations