Geometry & MOs

Info

ID:

319866

PubChem CID:

126657428

Reduced:

NO4C22H31 (2)

Stoich.:

AB4C22D31 (2)

Weight, g/mol:

576.261771

ΔHf, kcal/mol:

-366.81

Dipole, Da:

3.8

IP(EA), eV:

 -8.25(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]methyl]-2-oxo-4-[[(2R)-1,2,4-trihydroxy-3,3-dimethylbutyl]amino]butanamide

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(C=C3)OC(=O)OC(C)(C)C)C1=O)C4=CC=C(C=C4)OC(O)OC(C)(C)C

DOS

IR

Vibrations