Geometry & MOs

Info

ID:

119110

PubChem CID:

50670243

Reduced:

ClFO4N5C29H35 (1)

Stoich.:

ABC4D5E29F35 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-212.69

Dipole, Da:

6.39

IP(EA), eV:

 -8.93(-0.74)

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-[4-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations