Geometry & MOs

Info

ID:

98416

PubChem CID:

50043935

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-259.57

Dipole, Da:

7.58

IP(EA), eV:

 -8.92(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations