Geometry & MOs

Info

ID:

234363

PubChem CID:

92298265

Reduced:

SN5O6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

539.22024

ΔHf, kcal/mol:

-184.78

Dipole, Da:

3.56

IP(EA), eV:

 -8.54(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(2-methoxyphenyl)methyl]-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)O)N(C2=CC(=C(C=C2)OC)OC)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations