Geometry & MOs

Info

ID:	413667
PubChem CID:	135086616
Reduced:	BrFSN2O2H14C18 (1)
Stoich.:	ABCD2E2F14G18 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	7.83
IP(EA), eV:	-9.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-azido-2-(4-cyanophenyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)F)C3=CN=C(C=C3)Br

DOS

IR

Vibrations