Geometry & MOs

Info

ID:

90127

PubChem CID:

49966632

Reduced:

FN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-259.67

Dipole, Da:

12.7

IP(EA), eV:

 -8.48(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorobenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6OC)F

DOS

IR

Vibrations