Geometry & MOs

Info

ID:	8784
PubChem CID:	81421
Reduced:	NSO4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	273.103479
ΔH_f, kcal/mol:	-163.31
Dipole, Da:	7.71
IP(EA), eV:	-9.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCCO)CCO

DOS

IR

Vibrations