Geometry & MOs

Info

ID:	226833
PubChem CID:	87558560
Reduced:	ClSN4O9C16H23 (1)
Stoich.:	ABC4D9E16F23 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	7.68
IP(EA), eV:	-9.73(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-formyloxy-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])N(CCOS(=O)(=O)C)CCCl

DOS

IR

Vibrations