Geometry & MOs

Info

ID:	27522
PubChem CID:	821787
Reduced:	OSC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	322.040646
ΔH_f, kcal/mol:	-0.5
Dipole, Da:	3.72
IP(EA), eV:	-8.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1S)-2,2,2-trichloro-1-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CSCC2=CC=CC=C2

DOS

IR

Vibrations