Geometry & MOs

Info

ID:	196960
PubChem CID:	78901816
Reduced:	BrO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	339.075214
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	2.24
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetate

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations