Geometry & MOs

Info

ID:

110137

PubChem CID:

50312384

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-219.73

Dipole, Da:

7.31

IP(EA), eV:

 -8.96(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations