Geometry & MOs

Info

ID:

100082

PubChem CID:

50058062

Reduced:

FO4N5H34C35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

613.231217

ΔHf, kcal/mol:

-127.98

Dipole, Da:

7.91

IP(EA), eV:

 -8.65(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations