Geometry & MOs

Info

ID:	139959
PubChem CID:	52621401
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	329.129694
ΔH_f, kcal/mol:	-26.65
Dipole, Da:	1.44
IP(EA), eV:	-8.47(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[methyl-[(2S)-pentan-2-yl]sulfamoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)CN1CCOC2=CC=CC=C21

DOS

IR

Vibrations