Geometry & MOs

Info

ID:

96974

PubChem CID:

50026682

Reduced:

ClF2O5N6C31H31 (1)

Stoich.:

AB2C5D6E31F31 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-255.58

Dipole, Da:

7.38

IP(EA), eV:

 -8.95(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations