Geometry & MOs

Info

ID:

234377

PubChem CID:

92298295

Reduced:

SO4N5C28H35 (1)

Stoich.:

AB4C5D28E35 (1)

Weight, g/mol:

553.199505

ΔHf, kcal/mol:

-117.26

Dipole, Da:

5.37

IP(EA), eV:

 -8.44(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[(1S)-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(CCC2=CC=CC=C2C)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations