Geometry & MOs

Info

ID:	138738
PubChem CID:	52418200
Reduced:	ON5C24H38 (1)
Stoich.:	AB5C24D38 (1)
Weight, g/mol:	387.075214
ΔH_f, kcal/mol:	8.38
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752429
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)NCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations