Geometry & MOs

Info

ID:

113071

PubChem CID:

50431002

Reduced:

FN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-206.93

Dipole, Da:

10.23

IP(EA), eV:

 -8.54(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations