Geometry & MOs

Info

ID:

110544

PubChem CID:

50329243

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-265.84

Dipole, Da:

4.88

IP(EA), eV:

 -8.88(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(dimethylcarbamoyl)-2-methylphenyl]-1-[1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC(=CC=C6)F)OC

DOS

IR

Vibrations