Geometry & MOs

Info

ID:

114664

PubChem CID:

50491299

Reduced:

FO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-203.87

Dipole, Da:

5.73

IP(EA), eV:

 -9.07(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(diethylcarbamoyl)phenyl]-1-[1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations