Geometry & MOs

Info

ID:

100119

PubChem CID:

50058553

Reduced:

FO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-139.41

Dipole, Da:

9.32

IP(EA), eV:

 -8.59(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations