Geometry & MOs

Info

ID:

106061

PubChem CID:

50148109

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-217.51

Dipole, Da:

7.23

IP(EA), eV:

 -8.58(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations