Geometry & MOs

Info

ID:	205859
PubChem CID:	80166134
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	4.29
IP(EA), eV:	-9.67(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylamino)-2-methyl-5-nitro-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(C2(CCCO2)C)O

DOS

IR

Vibrations