Geometry & MOs

Info

ID:

91541

PubChem CID:

49976728

Reduced:

FN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-256.38

Dipole, Da:

8.13

IP(EA), eV:

 -8.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-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)NC2=CC=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations