Geometry & MOs

Info

ID:

109094

PubChem CID:

50272417

Reduced:

ClF2O5N6C42H45 (1)

Stoich.:

AB2C5D6E42F45 (1)

Weight, g/mol:

661.307576

ΔHf, kcal/mol:

-256.61

Dipole, Da:

5.18

IP(EA), eV:

 -8.43(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations