Geometry & MOs

Info

ID:

91578

PubChem CID:

49976999

Reduced:

N5O6C33H43 (1)

Stoich.:

A5B6C33D43 (1)

Weight, g/mol:

599.291926

ΔHf, kcal/mol:

-238.18

Dipole, Da:

10.51

IP(EA), eV:

 -8.93(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations