Geometry & MOs

Info

ID:	191394
PubChem CID:	78141995
Reduced:	N2O6C27H32 (1)
Stoich.:	A2B6C27D32 (1)
Weight, g/mol:	528.226037
ΔH_f, kcal/mol:	-168.73
Dipole, Da:	3.44
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-hydroxy-4-(4-methylphenyl)-3-nitro-2'-oxo-2-phenylspiro[cyclohexane-1,3'-indole]-1'-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(C(CC(C12C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)O)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations