Geometry & MOs

Info

ID:	86521
PubChem CID:	49886605
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	369.085778
ΔH_f, kcal/mol:	-180.29
Dipole, Da:	5.22
IP(EA), eV:	-8.61(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[N-ethylsulfonyl-4-(trifluoromethoxy)anilino]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CC(=O)OC(C)C)S(=O)(=O)CC

DOS

IR

Vibrations