Geometry & MOs

Info

ID:

116960

PubChem CID:

50582517

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

728.285589

ΔHf, kcal/mol:

-227.81

Dipole, Da:

8.51

IP(EA), eV:

 -8.82(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylbutanoylamino)phenyl]-1-[1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations