Geometry & MOs

Info

ID:

103836

PubChem CID:

50077377

Reduced:

BrFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

619.17942

ΔHf, kcal/mol:

-177.53

Dipole, Da:

14.69

IP(EA), eV:

 -8.74(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-bromoanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5C)Br)C

DOS

IR

Vibrations