Geometry & MOs

Info

ID:	427382
PubChem CID:	135157962
Reduced:	SCl2F3N3O3H22C23 (1)
Stoich.:	AB2C3D3E3F22G23 (1)
Weight, g/mol:	236.102174
ΔH_f, kcal/mol:	-242.75
Dipole, Da:	4.5
IP(EA), eV:	-9.26(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NZ)-N-[azido(pyrazol-1-yl)methylidene]carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(C=C(C=C1)Cl)CN2C=NC3=C(C(=C(C=C3C2=O)C(F)(F)F)CN4CCCC4)Cl

DOS

IR

Vibrations