Geometry & MOs

Info

ID:	401559
PubChem CID:	135051642
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	6.94
IP(EA), eV:	-8.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-4-[3-(oxan-2-yloxy)prop-1-ynyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=C(C)OC)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations