Geometry & MOs

Info

ID:

94891

PubChem CID:

50004639

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-222.13

Dipole, Da:

8.37

IP(EA), eV:

 -8.99(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-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)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations