Geometry & MOs

Info

ID:	392841
PubChem CID:	135018157
Reduced:	OH9C12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	617.244724
ΔH_f, kcal/mol:	44.84
Dipole, Da:	1.13
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 1-methoxy-9-(4-methylphenyl)sulfonyl-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(\C2=CC=C(C=C2)/C(=C\C3=CC=CC=C3)/C=O)/C=O

DOS

IR

Vibrations