Geometry & MOs

Info

ID:

444279

PubChem CID:

135261944

Reduced:

ClSN13O13C73H88 (1)

Stoich.:

ABC13D13E73F88 (1)

Weight, g/mol:

579.175223

ΔHf, kcal/mol:

-352.97

Dipole, Da:

4.55

IP(EA), eV:

 -7.19(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

1-[4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]anilino]-2-oxoethyl]phenyl]ethanesulfinate

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=C3C(=C12)[C@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)C6=CC7=C(N6)C=CC(=C7)OCCN8CCCC8)CCl)OC(=O)N(C)CC(C)(C)CN(C)C(=O)OCC9=CC=C(C=C9)N(C(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N

DOS

IR

Vibrations