Geometry & MOs

Info

ID:

97121

PubChem CID:

50028128

Reduced:

SO4N7C30H37 (1)

Stoich.:

AB4C7D30E37 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-109.91

Dipole, Da:

14.23

IP(EA), eV:

 -8.56(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations