Geometry & MOs

Info

ID:

115578

PubChem CID:

50527602

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-219.12

Dipole, Da:

4.0

IP(EA), eV:

 -8.89(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)-2-methylphenyl]-1-[1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F)C(=O)N

DOS

IR

Vibrations