Geometry & MOs

Info

ID:	145983
PubChem CID:	53620933
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	301.134779
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	7.23
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxyphenyl)sulfonylethylamino]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC)CC(=O)NC1=CC=C(C=C1)Br

DOS

IR

Vibrations