Geometry & MOs

Info

ID:

112830

PubChem CID:

50421872

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-215.81

Dipole, Da:

8.5

IP(EA), eV:

 -8.97(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations