Geometry & MOs

Info

ID:	73615
PubChem CID:	48419511
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	4.47
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-nitrophenyl)sulfinylacetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)CNC(=O)C2=CC3=CC=CC=C3C(=N2)OC

DOS

IR

Vibrations