Geometry & MOs

Info

ID:

107581

PubChem CID:

50209483

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-204.44

Dipole, Da:

5.65

IP(EA), eV:

 -8.88(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations