Geometry & MOs

Info

ID:

119100

PubChem CID:

50669878

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

760.290674

ΔHf, kcal/mol:

-227.83

Dipole, Da:

4.89

IP(EA), eV:

 -8.32(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-chloro-4-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations