Geometry & MOs

Info

ID:

113623

PubChem CID:

50452225

Reduced:

ClF2O5N6C38H41 (1)

Stoich.:

AB2C5D6E38F41 (1)

Weight, g/mol:

538.219175

ΔHf, kcal/mol:

-251.13

Dipole, Da:

6.23

IP(EA), eV:

 -8.88(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations