Geometry & MOs

Info

ID:

215251

PubChem CID:

85084428

Reduced:

BrN5O6C28H32 (1)

Stoich.:

AB5C6D28E32 (1)

Weight, g/mol:

730.224832

ΔHf, kcal/mol:

-161.54

Dipole, Da:

0.99

IP(EA), eV:

 -8.34(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C3C(CN(C3=CC(=C2N1)OC(=O)N(C)N)C(=O)C=CC4=CC(=C(C=C4)OC)N(C)C)CBr)C(=O)OC

DOS

IR

Vibrations