Geometry & MOs

Info

ID:	218314
PubChem CID:	85089161
Reduced:	ON5C28H33 (1)
Stoich.:	AB5C28D33 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	95.83
Dipole, Da:	5.1
IP(EA), eV:	-8.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-hydroxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-[4-(methylsulfamoyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C=CC2C3CCC(CC3NN2)NC4=CC=CC=C4C(=O)NCC#CC5CC5

DOS

IR

Vibrations