Geometry & MOs

Info

ID:	398341
PubChem CID:	135032865
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	626.206228
ΔH_f, kcal/mol:	-73.31
Dipole, Da:	4.18
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5'-methyl-11'-(4-methylphenyl)sulfonyl-6'-(trifluoromethyl)spiro[piperidine-4,3'-pyrano[3,2-a]carbazole]-1-carboxylate

Drug info:

PubChemData

Smile

CC12CC(CC(C1)(C)C3=NC4=C(O3)C=C5CCCCC5=C4)C(=O)NC2

DOS

IR

Vibrations