Geometry & MOs

Info

ID:	194536
PubChem CID:	78551263
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	351.108228
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	8.09
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)OC(C)C(=O)NC3CC3

DOS

IR

Vibrations