Geometry & MOs

Info

ID:

120427

PubChem CID:

50726636

Reduced:

ClF2O5N6H33C36 (1)

Stoich.:

AB2C5D6E33F36 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-218.3

Dipole, Da:

2.84

IP(EA), eV:

 -8.9(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[2-[3-[(2-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)F)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations