Geometry & MOs

Info

ID:

219272

PubChem CID:

85098341

Reduced:

SN5O5C36H55 (1)

Stoich.:

AB5C5D36E55 (1)

Weight, g/mol:

670.22434

ΔHf, kcal/mol:

-239.16

Dipole, Da:

4.04

IP(EA), eV:

 -8.82(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-[[1-[4-[[1,1-dioxo-4-[(3-oxo-1-phenylbutan-2-yl)amino]-1,2,5-thiadiazol-3-yl]amino]phenyl]-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCN(CC4)C)O)O

DOS

IR

Vibrations