Geometry & MOs

Info

ID:

91920

PubChem CID:

49980251

Reduced:

FN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

746.36034

ΔHf, kcal/mol:

-274.62

Dipole, Da:

11.89

IP(EA), eV:

 -8.95(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations