Geometry & MOs

Info

ID:

234359

PubChem CID:

92298260

Reduced:

FSN5O5C26H28 (1)

Stoich.:

ABC5D5E26F28 (1)

Weight, g/mol:

543.195168

ΔHf, kcal/mol:

-175.49

Dipole, Da:

4.22

IP(EA), eV:

 -8.69(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(3,4-dimethoxyphenyl)-5-N-[(1R)-1-(4-fluorophenyl)-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)F)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations