Geometry & MOs

Info

ID:	231227
PubChem CID:	87573071
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	612.88699
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	7.73
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyano-N-[2,6-dibromo-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC=NC=C3)NC(=O)O

DOS

IR

Vibrations