Geometry & MOs

Info

ID:	37393
PubChem CID:	8020520
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	335.053606
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	8.61
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C

DOS

IR

Vibrations