Geometry & MOs

Info

ID:

104921

PubChem CID:

50105950

Reduced:

BrF2O4N5C36H42 (1)

Stoich.:

AB2C4D5E36F42 (1)

Weight, g/mol:

788.330931

ΔHf, kcal/mol:

-232.84

Dipole, Da:

12.27

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4C)Br)C

DOS

IR

Vibrations