Geometry & MOs

Info

ID:

84229

PubChem CID:

49865077

Reduced:

ClSF3N5O7H21C28 (1)

Stoich.:

ABC3D5E7F21G28 (1)

Weight, g/mol:

600.080566

ΔHf, kcal/mol:

-348.04

Dipole, Da:

5.38

IP(EA), eV:

 -8.69(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[5-[(2-amino-2-oxoethyl)amino]-3-chloro-2-methyl-6-oxopyrazin-1-yl]acetyl]amino]-N-[4-(trifluoromethyl)phenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)NC3=CC=CC=C3C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)NCC(=O)O)Cl

DOS

IR

Vibrations