Geometry & MOs

Info

ID:	402228
PubChem CID:	135055055
Reduced:	NO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	547.257003
ΔH_f, kcal/mol:	-158.88
Dipole, Da:	1.4
IP(EA), eV:	-9.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (1R,2S,5R,6S)-4-formyl-5'-methoxy-2-methyl-2'-oxo-5-phenylspiro[cyclohex-3-ene-6,3'-indole]-1,1'-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/[C@@](CCC1=CC=CC=C1)(C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations