Geometry & MOs

Info

ID:

96043

PubChem CID:

50018617

Reduced:

ClFO4N5C37H43 (1)

Stoich.:

ABC4D5E37F43 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-196.92

Dipole, Da:

10.53

IP(EA), eV:

 -9.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations