Geometry & MOs

Info

ID:

113221

PubChem CID:

50436139

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

645.332648

ΔHf, kcal/mol:

-279.15

Dipole, Da:

3.5

IP(EA), eV:

 -8.42(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C(C)C)Cl)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations