Geometry & MOs

Info

ID:

103064

PubChem CID:

50070376

Reduced:

SF2O4N5C34H39 (1)

Stoich.:

AB2C4D5E34F39 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-222.94

Dipole, Da:

9.28

IP(EA), eV:

 -8.65(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations