Geometry & MOs

Info

ID:	38414
PubChem CID:	8036147
Reduced:	SN3O4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	274.086152
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	8.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751978
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[(4-nitrophenyl)sulfonylamino]ethyl]azanium

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NCCC[NH+](C)C)OC

DOS

IR

Vibrations