Geometry & MOs

Info

ID:

113386

PubChem CID:

50441585

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

750.25406

ΔHf, kcal/mol:

-265.88

Dipole, Da:

9.29

IP(EA), eV:

 -9.07(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)N)Cl)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations