Geometry & MOs

Info

ID:

104940

PubChem CID:

50106009

Reduced:

SF2O4N7C31H37 (1)

Stoich.:

AB2C4D7E31F37 (1)

Weight, g/mol:

679.31814

ΔHf, kcal/mol:

-195.44

Dipole, Da:

6.4

IP(EA), eV:

 -9.18(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations