Geometry & MOs

Info

ID:

234355

PubChem CID:

92298249

Reduced:

NOC41H41 (1)

Stoich.:

ABC41D41 (1)

Weight, g/mol:

532.22566

ΔHf, kcal/mol:

48.99

Dipole, Da:

2.9

IP(EA), eV:

 -8.46(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1C2=C(C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[C@@](CC1(C)C)(C)C6=CC=C(C=C6)C

DOS

IR

Vibrations