Geometry & MOs

Info

ID:

96180

PubChem CID:

50019340

Reduced:

F2O4N5C36H43 (1)

Stoich.:

A2B4C5D36E43 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-240.54

Dipole, Da:

3.76

IP(EA), eV:

 -8.79(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations