Geometry & MOs

Info

ID:

118607

PubChem CID:

50649152

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-267.1

Dipole, Da:

4.74

IP(EA), eV:

 -8.86(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(3,4-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations