Geometry & MOs

Info

ID:

112363

PubChem CID:

50404320

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-224.97

Dipole, Da:

1.26

IP(EA), eV:

 -9.06(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations