Geometry & MOs

Info

ID:	286551
PubChem CID:	104171026
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	5.7
IP(EA), eV:	-8.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxypropylsulfonyl)-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)S(=O)CC(C)OC

DOS

IR

Vibrations