Geometry & MOs

Info

ID:	207799
PubChem CID:	80450425
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-149.18
Dipole, Da:	8.28
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-methyl-1-(4-nitrophenyl)sulfonylbutan-2-amine

Drug info:

PubChemData

Smile

CC(C)C(CS(=O)(=O)C1=CC2=C(C=C1)OCCO2)N

DOS

IR

Vibrations