Geometry & MOs

Info

ID:

104742

PubChem CID:

50105231

Reduced:

FO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

610.327897

ΔHf, kcal/mol:

-246.04

Dipole, Da:

7.76

IP(EA), eV:

 -8.83(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)F

DOS

IR

Vibrations