Geometry & MOs

Info

ID:

110766

PubChem CID:

50339340

Reduced:

SF2O4N6C29H32 (1)

Stoich.:

AB2C4D6E29F32 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-193.75

Dipole, Da:

7.55

IP(EA), eV:

 -8.99(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(butan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4

DOS

IR

Vibrations