Geometry & MOs

Info

ID:	159437
PubChem CID:	57280166
Reduced:	NSO2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	3.57
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-ynyl 4-ethylbenzoate

Drug info:

PubChemData

Smile

C=CC(=O)NCOS

DOS

IR

Vibrations