Geometry & MOs

Info

ID:	381884
PubChem CID:	134972744
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	352.134241
ΔH_f, kcal/mol:	-206.3
Dipole, Da:	2.53
IP(EA), eV:	-9.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,6R)-4-chloro-3-ethenyl-8-(2-isocyanatophenyl)-3,7,7-trimethylbicyclo[4.2.0]oct-1(8)-ene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H]1[C@H](O1)C2=CC=C(C=C2)COC(=O)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations