Geometry & MOs

Info

ID:	44971
PubChem CID:	10506941
Reduced:	PN2O10C25H35 (1)
Stoich.:	AB2C10D25E35 (1)
Weight, g/mol:	554.223929
ΔH_f, kcal/mol:	-469.96
Dipole, Da:	2.67
IP(EA), eV:	-9.59(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(=O)OC(C)(C)C)N1[C@@H]([C@@H](C1=O)N2C(=O)C3=CC=CC=C3C2=O)CCC(CO)O)OCC

DOS

IR

Vibrations