Geometry & MOs

Info

ID:

234356

PubChem CID:

92298252

Reduced:

SO3N6C28H32 (1)

Stoich.:

AB3C6D28E32 (1)

Weight, g/mol:

532.22566

ΔHf, kcal/mol:

-69.38

Dipole, Da:

4.42

IP(EA), eV:

 -8.53(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(3,4-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(C)(C)NC(=O)[C@@H](C1=CNC2=CC=CC=C21)N(C3=CC(=CC(=C3)C)C)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations