Geometry & MOs

Info

ID:	440240
PubChem CID:	135230171
Reduced:	SN2O2C16H21 (2)
Stoich.:	AB2C2D16E21 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	1.6
IP(EA), eV:	-9.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-azido-4-cyanobenzoate

Drug info:

PubChemData

Smile

C1CNCCC1CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4CCNCC4)CC5=CC=CC=C5

DOS

IR

Vibrations