Geometry & MOs

Info

ID:

161427

PubChem CID:

57391657

Reduced:

FINO2C19H23 (1)

Stoich.:

ABCD2E19F23 (1)

Weight, g/mol:

644.172389

ΔHf, kcal/mol:

-90.11

Dipole, Da:

2.4

IP(EA), eV:

 -8.93(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[[2-chloro-5-(methylaminomethyl)phenyl]methyl]-N-cyclopropyl-1-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C/CF)C[C@@H]1C3=CC=C(C=C3)I

DOS

IR

Vibrations