Geometry & MOs

Info

ID:

179824

PubChem CID:

76537427

Reduced:

Cl2N4O5C33H36 (1)

Stoich.:

A2B4C5D33E36 (1)

Weight, g/mol:

674.182953

ΔHf, kcal/mol:

-143.63

Dipole, Da:

2.69

IP(EA), eV:

 -8.96(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NCC1=CC(=C(C=C1)Cl)CN(C2CC2)C(=O)C3CNCC(=O)N3C4=CC=C(C=C4)CCCOC5=CC(=CC=C5)Cl

DOS

IR

Vibrations