Geometry & MOs

Info

ID:

109614

PubChem CID:

50291501

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

750.25406

ΔHf, kcal/mol:

-176.75

Dipole, Da:

10.28

IP(EA), eV:

 -9.02(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations