Geometry & MOs

Info

ID:

95354

PubChem CID:

50008612

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

531.20486

ΔHf, kcal/mol:

-203.06

Dipole, Da:

10.46

IP(EA), eV:

 -9.0(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC(C)C

DOS

IR

Vibrations