Geometry & MOs

Info

ID:

98717

PubChem CID:

50045931

Reduced:

F2N5O5C31H33 (1)

Stoich.:

A2B5C5D31E33 (1)

Weight, g/mol:

631.156466

ΔHf, kcal/mol:

-242.74

Dipole, Da:

5.99

IP(EA), eV:

 -8.81(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations