Geometry & MOs

Info

ID:	30867
PubChem CID:	842072
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	343.983074
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	2.88
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=NN=C(S1)SCC)OC2=CC=CC=C2

DOS

IR

Vibrations