Geometry & MOs

Info

ID:	396135
PubChem CID:	135027519
Reduced:	NCl3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	411.040706
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	3.62
IP(EA), eV:	-9.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-N-[(1R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethenyl-4-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC([C@@]2(C[C@H]1OC(=N2)C(Cl)(Cl)Cl)C=C)[C@H]3COC(O3)(C)C

DOS

IR

Vibrations