Geometry & MOs

Info

ID:	232224
PubChem CID:	87575746
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	180.04563
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	4.16
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl 3-hydroxypropane-1-sulfonate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(S4)N

DOS

IR

Vibrations