Geometry & MOs

Info

ID:	422113
PubChem CID:	135117225
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-47.24
Dipole, Da:	3.81
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)CN2CCCC(C2)OCC3=CC=CC=N3

DOS

IR

Vibrations