Geometry & MOs

Info

ID:

109779

PubChem CID:

50296756

Reduced:

BrFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

641.197188

ΔHf, kcal/mol:

-207.87

Dipole, Da:

16.26

IP(EA), eV:

 -8.59(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,4-dichloroanilino)-3-oxopropyl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C

DOS

IR

Vibrations