Geometry & MOs

Info

ID:

97959

PubChem CID:

50037352

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-271.4

Dipole, Da:

8.58

IP(EA), eV:

 -8.46(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations