Geometry & MOs

Info

ID:	86527
PubChem CID:	49886632
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	407.062598
ΔH_f, kcal/mol:	-173.68
Dipole, Da:	4.87
IP(EA), eV:	-9.15(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[N-ethylsulfonyl-3,5-bis(trifluoromethyl)anilino]acetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)OC(C)C)C1=CC=C(C=C1)C

DOS

IR

Vibrations