Geometry & MOs

Info

ID:

112207

PubChem CID:

50398328

Reduced:

FO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-159.24

Dipole, Da:

6.14

IP(EA), eV:

 -8.78(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(diethylcarbamoyl)-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)NC4=CC=C(C=C4)F)C(=O)NC

DOS

IR

Vibrations