Geometry & MOs

Info

ID:

99131

PubChem CID:

50048587

Reduced:

ClF2O4N5H36C37 (1)

Stoich.:

AB2C4D5E36F37 (1)

Weight, g/mol:

621.276276

ΔHf, kcal/mol:

-197.57

Dipole, Da:

8.21

IP(EA), eV:

 -8.71(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]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)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations