Geometry & MOs

Info

ID:

97600

PubChem CID:

50032921

Reduced:

BrFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-221.2

Dipole, Da:

11.69

IP(EA), eV:

 -8.85(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-carbamoyl-5-chloroanilino)-3-oxopropyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations