Geometry & MOs

Info

ID:

104868

PubChem CID:

50105810

Reduced:

ClF3O4N5C28H33 (1)

Stoich.:

AB3C4D5E28F33 (1)

Weight, g/mol:

537.295119

ΔHf, kcal/mol:

-310.95

Dipole, Da:

6.77

IP(EA), eV:

 -8.73(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations