Geometry & MOs

Info

ID:

110639

PubChem CID:

50333483

Reduced:

N5O5C33H43 (1)

Stoich.:

A5B5C33D43 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-180.75

Dipole, Da:

8.13

IP(EA), eV:

 -8.79(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)OC)C(=O)N5CCCC5

DOS

IR

Vibrations