Geometry & MOs

Info

ID:

119357

PubChem CID:

50680456

Reduced:

ClFN6O6C39H46 (1)

Stoich.:

ABC6D6E39F46 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-279.03

Dipole, Da:

9.5

IP(EA), eV:

 -8.95(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations