Geometry & MOs

Info

ID:

161401

PubChem CID:

57391552

Reduced:

ClN3O3C30H34 (1)

Stoich.:

AB3C3D30E34 (1)

Weight, g/mol:

709.180094

ΔHf, kcal/mol:

-73.95

Dipole, Da:

7.76

IP(EA), eV:

 -8.88(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=CC=CC=C1)C(=O)[C@H]2CNCC(=O)N2C3=CC=C(C=C3)CCCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations