Geometry & MOs

Info

ID:

107405

PubChem CID:

50201649

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-190.58

Dipole, Da:

9.73

IP(EA), eV:

 -8.78(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations