Geometry & MOs

Info

ID:

115616

PubChem CID:

50528869

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-243.16

Dipole, Da:

5.07

IP(EA), eV:

 -9.09(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations