Geometry & MOs

Info

ID:	219076
PubChem CID:	85090452
Reduced:	S2N3O4C29H29 (1)
Stoich.:	A2B3C4D29E29 (1)
Weight, g/mol:	547.271607
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	6.4
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(tert-butylsulfamoyl)-3,4,5-trimethoxyphenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)NCC2=CSC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

DOS

IR

Vibrations