Geometry & MOs

Info

ID:	63850
PubChem CID:	26759319
Reduced:	BrSN2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	393.118793
ΔH_f, kcal/mol:	-110.11
Dipole, Da:	9.09
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations