Geometry & MOs

Info

ID:

100482

PubChem CID:

50061740

Reduced:

FSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-152.21

Dipole, Da:

11.4

IP(EA), eV:

 -8.95(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations