Geometry & MOs

Info

ID:

162577

PubChem CID:

57395129

Reduced:

SCl2N2O2H16C20 (1)

Stoich.:

AB2C2D2E16F20 (1)

Weight, g/mol:

755.165587

ΔHf, kcal/mol:

-25.56

Dipole, Da:

7.62

IP(EA), eV:

 -8.87(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[[2-chloro-5-[2-(3,3,3-trifluoropropanoylamino)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

C1CN(C(=S)C2=C1C3=C(N2CC(=O)O)C=C(C=C3Cl)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations