Geometry & MOs

Info

ID:

109235

PubChem CID:

50277747

Reduced:

BrO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-157.42

Dipole, Da:

6.23

IP(EA), eV:

 -8.58(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4C)Br)C)C

DOS

IR

Vibrations