Geometry & MOs

Info

ID:	415647
PubChem CID:	135088646
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	338.127584
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	5.02
IP(EA), eV:	-8.91(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CN(CC1=C(NN=C1)C2=CC=C(C=C2)F)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations