Geometry & MOs

Info

ID:	138885
PubChem CID:	52440102
Reduced:	SN2F3O4H16C21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	374.16353
ΔH_f, kcal/mol:	-219.38
Dipole, Da:	1.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099938
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(2-chlorophenyl)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC=CC(=C3)C(F)(F)F)CO

DOS

IR

Vibrations