Geometry & MOs

Info

ID:

96592

PubChem CID:

50022583

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-255.77

Dipole, Da:

7.14

IP(EA), eV:

 -9.07(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(dimethylcarbamoyl)-2-methylphenyl]-1-[1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C)C)F

DOS

IR

Vibrations