Geometry & MOs

Info

ID:

117366

PubChem CID:

50599912

Reduced:

BrClN5O5C32H41 (1)

Stoich.:

ABC5D5E32F41 (1)

Weight, g/mol:

720.283839

ΔHf, kcal/mol:

-204.67

Dipole, Da:

7.06

IP(EA), eV:

 -9.09(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)C)Br

DOS

IR

Vibrations