Geometry & MOs

Info

ID:	35269
PubChem CID:	7979606
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	413.162057
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	4.86
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=N\NC(=S)NC[C@H]2CCCO2)OC

DOS

IR

Vibrations