Geometry & MOs

Info

ID:

110186

PubChem CID:

50315066

Reduced:

BrFO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-205.76

Dipole, Da:

6.63

IP(EA), eV:

 -9.27(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Br)F)C(=O)NC(C)C

DOS

IR

Vibrations