Geometry & MOs

Info

ID:

117343

PubChem CID:

50599180

Reduced:

ClFN6O6C42H44 (1)

Stoich.:

ABC6D6E42F44 (1)

Weight, g/mol:

782.299489

ΔHf, kcal/mol:

-225.16

Dipole, Da:

10.8

IP(EA), eV:

 -8.42(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=C(C=C6)F)Cl

DOS

IR

Vibrations