Geometry & MOs

Info

ID:

234364

PubChem CID:

92298271

Reduced:

SN5O5C27H33 (1)

Stoich.:

AB5C5D27E33 (1)

Weight, g/mol:

539.22024

ΔHf, kcal/mol:

-145.65

Dipole, Da:

2.61

IP(EA), eV:

 -8.4(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(4-ethoxyphenyl)-5-N-[(1R)-1-(4-methoxyphenyl)-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(CC2=CC=CC=C2OC)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations