Geometry & MOs

Info

ID:	393278
PubChem CID:	135019924
Reduced:	S2O8C23H26 (1)
Stoich.:	A2B8C23D26 (1)
Weight, g/mol:	399.183444
ΔH_f, kcal/mol:	-285.66
Dipole, Da:	8.24
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-benzyl-1-hydroxy-4-(3-methylbut-2-enyl)carbazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C\CC/C(=C/C(=O)OC)/OS(=O)(=O)C2=CC=C(C=C2)C)/C

DOS

IR

Vibrations