Geometry & MOs

Info

ID:	177088
PubChem CID:	76133560
Reduced:	SN2O3C39H40 (1)
Stoich.:	AB2C3D39E40 (1)
Weight, g/mol:	699.300795
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	3.46
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-phenyloctyl)-4-(tetrazolidin-5-ylmethoxy)-3,5-bis[3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CNC1=CC=C(C=C1)OC2=CC=CC=C2)CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations