Geometry & MOs

Info

ID:	63335
PubChem CID:	26750641
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	394.114042
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	3.23
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations