Geometry & MOs

Info

ID:

223909

PubChem CID:

85335754

Reduced:

SO7N9C31H57 (1)

Stoich.:

AB7C9D31E57 (1)

Weight, g/mol:

700.277815

ΔHf, kcal/mol:

-354.99

Dipole, Da:

4.55

IP(EA), eV:

 -9.09(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[3-[4-[[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations