Geometry & MOs

Info

ID:

220026

PubChem CID:

85165159

Reduced:

SN2O4C27H29 (1)

Stoich.:

AB2C4D27E29 (1)

Weight, g/mol:

634.22434

ΔHf, kcal/mol:

-32.9

Dipole, Da:

7.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.973539

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[1-[[2-[2-methyl-1-[[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carbonyl]amino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC

DOS

IR

Vibrations