Geometry & MOs

Info

ID:

161761

PubChem CID:

57392572

Reduced:

SN2O7C21H22 (1)

Stoich.:

AB2C7D21E22 (1)

Weight, g/mol:

666.188198

ΔHf, kcal/mol:

-217.92

Dipole, Da:

6.26

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[2-(trifluoromethylsulfonylamino)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)CC3=CC=CC=N3

DOS

IR

Vibrations