Geometry & MOs

Info

ID:

109820

PubChem CID:

50298508

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-220.26

Dipole, Da:

11.12

IP(EA), eV:

 -8.99(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations