Geometry & MOs

Info

ID:

113291

PubChem CID:

50438501

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-165.63

Dipole, Da:

8.24

IP(EA), eV:

 -8.91(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)-2-methylphenyl]-1-[2-[3-[(4-fluorophenyl)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)C(=O)NC)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations