Geometry & MOs

Info

ID:	395919
PubChem CID:	135026896
Reduced:	NS2O6C28H33 (1)
Stoich.:	AB2C6D28E33 (1)
Weight, g/mol:	481.188923
ΔH_f, kcal/mol:	-194.26
Dipole, Da:	11.45
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,4R)-1-phenacyl-4-phenyl-1,3,4,9-tetrahydrocarbazole-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCN(C2)CC3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations