Geometry & MOs

Info

ID:

108009

PubChem CID:

50226609

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-227.62

Dipole, Da:

7.34

IP(EA), eV:

 -9.13(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations