Geometry & MOs

Info

ID:

95537

PubChem CID:

50010061

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-262.53

Dipole, Da:

11.08

IP(EA), eV:

 -8.87(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations