Geometry & MOs

Info

ID:

114582

PubChem CID:

50489206

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-251.57

Dipole, Da:

11.26

IP(EA), eV:

 -8.62(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(methylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl)C)F

DOS

IR

Vibrations