Geometry & MOs

Info

ID:

119429

PubChem CID:

50684769

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

720.283839

ΔHf, kcal/mol:

-215.03

Dipole, Da:

3.21

IP(EA), eV:

 -9.25(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-fluoro-5-[(3-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations