Geometry & MOs

Info

ID:

328427

PubChem CID:

126722993

Reduced:

NO3C29H47 (1)

Stoich.:

AB3C29D47 (1)

Weight, g/mol:

946.270738

ΔHf, kcal/mol:

-139.84

Dipole, Da:

1.15

IP(EA), eV:

-9.52(0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3,5-di(propan-2-yl)phenyl]-2-methylhexan-2-yl]-2,6-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)N[C@@H](CC(C)C)C(=O)OC

DOS

IR

Vibrations