Geometry & MOs

Info

ID:

108707

PubChem CID:

50255349

Reduced:

FSO4N7C34H44 (1)

Stoich.:

ABC4D7E34F44 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-174.16

Dipole, Da:

12.69

IP(EA), eV:

 -8.62(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations