Geometry & MOs

Info

ID:

114070

PubChem CID:

50470624

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-226.71

Dipole, Da:

5.75

IP(EA), eV:

 -8.93(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations