Geometry & MOs

Info

ID:

118335

PubChem CID:

50638857

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-214.45

Dipole, Da:

7.83

IP(EA), eV:

 -9.05(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations