Geometry & MOs

Info

ID:

112496

PubChem CID:

50409408

Reduced:

BrFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

750.25406

ΔHf, kcal/mol:

-236.86

Dipole, Da:

10.08

IP(EA), eV:

 -8.93(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-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)NCCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations