Geometry & MOs

Info

ID:	396133
PubChem CID:	135027517
Reduced:	NBr2Cl3O3C16H22 (1)
Stoich.:	AB2C3D3E16F22 (1)
Weight, g/mol:	395.045791
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	4.22
IP(EA), eV:	-10.19(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-N-[(3S,6S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-1-oxaspiro[2.5]oct-4-en-6-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(CC([C@@](C[C@@H]1Br)(C=C)NC(=O)C(Cl)(Cl)Cl)[C@H]2COC(O2)(C)C)Br

DOS

IR

Vibrations