Geometry & MOs

Info

ID:	243470
PubChem CID:	99224196
Reduced:	O2S2N4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	400.143234
ΔH_f, kcal/mol:	-14.96
Dipole, Da:	5.45
IP(EA), eV:	-8.49(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](N1[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=S=N4)C

DOS

IR

Vibrations