Geometry & MOs

Info

ID:	35258
PubChem CID:	7979594
Reduced:	ClSN2O6C14H17 (1)
Stoich.:	ABC2D6E14F17 (1)
Weight, g/mol:	399.146407
ΔH_f, kcal/mol:	-246.05
Dipole, Da:	12.74
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)Cl)N

DOS

IR

Vibrations