Geometry & MOs

Info

ID:

91858

PubChem CID:

49979690

Reduced:

N5O5C34H45 (1)

Stoich.:

A5B5C34D45 (1)

Weight, g/mol:

627.262375

ΔHf, kcal/mol:

-208.4

Dipole, Da:

3.66

IP(EA), eV:

 -8.44(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations