Geometry & MOs

Info

ID:

106600

PubChem CID:

50170620

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-231.71

Dipole, Da:

8.28

IP(EA), eV:

 -8.9(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations