Geometry & MOs

Info

ID:	268108
PubChem CID:	103597907
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	346.098728
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	2.66
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C=CC1=CSC(=N1)C

DOS

IR

Vibrations