Geometry & MOs

Info

ID:

113967

PubChem CID:

50466419

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-173.25

Dipole, Da:

6.16

IP(EA), eV:

 -8.92(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCC4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations