Geometry & MOs

Info

ID:	11699
PubChem CID:	119349
Reduced:	SN2O5C31H38 (1)
Stoich.:	AB2C5D31E38 (1)
Weight, g/mol:	550.250144
ΔH_f, kcal/mol:	-132.81
Dipole, Da:	8.94
IP(EA), eV:	-8.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations