Geometry & MOs

Info

ID:

162404

PubChem CID:

57394563

Reduced:

ClON4H19C21 (1)

Stoich.:

ABC4D19E21 (1)

Weight, g/mol:

687.178202

ΔHf, kcal/mol:

53.6

Dipole, Da:

8.66

IP(EA), eV:

 -9.43(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-N-cyclopropyl-1-[6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=NC(=C2C)C(=O)N(CC3=CC=CC=C3Cl)C#N

DOS

IR

Vibrations