Geometry & MOs

Info

ID:

114511

PubChem CID:

50485824

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-220.27

Dipole, Da:

3.76

IP(EA), eV:

 -9.18(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)N)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations