Geometry & MOs

Info

ID:

234370

PubChem CID:

92298283

Reduced:

SO3N6C29H34 (1)

Stoich.:

AB3C6D29E34 (1)

Weight, g/mol:

534.204925

ΔHf, kcal/mol:

-65.89

Dipole, Da:

2.59

IP(EA), eV:

 -8.42(-1.01)

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-methoxyphenyl)-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=C(C=C3)C(C)C)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations