Geometry & MOs

Info

ID:	417551
PubChem CID:	135102025
Reduced:	O4N6C27H32 (1)
Stoich.:	A4B6C27D32 (1)
Weight, g/mol:	370.167477
ΔH_f, kcal/mol:	-34.0
Dipole, Da:	7.55
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCCOC4=C(C(=O)NC5[C@@H]6CC[C@H]5CN(C6)C2)N=CC=C4)N=N3

DOS

IR

Vibrations