Geometry & MOs

Info

ID:	70122
PubChem CID:	47207920
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	293.072179
ΔH_f, kcal/mol:	-39.62
Dipole, Da:	5.07
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-ynyl 3-[4-(dimethylsulfamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)OCC#C

DOS

IR

Vibrations