Geometry & MOs

Info

ID:	29794
PubChem CID:	837346
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	336.056296
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	4.12
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1S)-2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations