Geometry & MOs

Info

ID:

100599

PubChem CID:

50063094

Reduced:

ClF2O5N6H39C40 (1)

Stoich.:

AB2C5D6E39F40 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-233.34

Dipole, Da:

6.21

IP(EA), eV:

 -8.77(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations