Geometry & MOs

Info

ID:

110593

PubChem CID:

50331841

Reduced:

BrFO4N5C27H33 (1)

Stoich.:

ABC4D5E27F33 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-191.96

Dipole, Da:

5.87

IP(EA), eV:

 -9.02(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)F)C

DOS

IR

Vibrations