Geometry & MOs

Info

ID:	35249
PubChem CID:	7979581
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-117.02
Dipole, Da:	0.99
IP(EA), eV:	-9.11(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations