Geometry & MOs

Info

ID:

116834

PubChem CID:

50577208

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

633.252953

ΔHf, kcal/mol:

-210.94

Dipole, Da:

9.55

IP(EA), eV:

 -9.01(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-(2,6-difluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC)Cl

DOS

IR

Vibrations