Geometry & MOs

Info

ID:

188695

PubChem CID:

77756002

Reduced:

ClN2O4C33H39 (1)

Stoich.:

AB2C4D33E39 (1)

Weight, g/mol:

567.243678

ΔHf, kcal/mol:

-165.56

Dipole, Da:

4.39

IP(EA), eV:

 -9.16(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[1-[[1-cyclohexyl-2-(4-methoxyphenyl)ethyl]sulfinylamino]-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CCCC2=CC=C(C=C2)C3=CC=CC=C3Cl)CC(=O)O

DOS

IR

Vibrations