Geometry & MOs

Info

ID:	407801
PubChem CID:	135080556
Reduced:	SH4N4C5O6 (1)
Stoich.:	AB4C4D5E6 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	3.14
IP(EA), eV:	-9.96(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-butylspiro[adamantane-2,3'-diaziridine]

Drug info:

PubChemData

Smile

C(C(=O)O)SC1=C(NN=C1[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations