Geometry & MOs

Info

ID:

97315

PubChem CID:

50030174

Reduced:

ClF2O5N6H35C37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-222.8

Dipole, Da:

11.73

IP(EA), eV:

 -8.87(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations