Geometry & MOs

Info

ID:

113510

PubChem CID:

50448991

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-277.64

Dipole, Da:

9.35

IP(EA), eV:

 -8.93(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCCC4)Cl)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations