Geometry & MOs

Info

ID:	148851
PubChem CID:	53788520
Reduced:	N2O3C18H32 (1)
Stoich.:	A2B3C18D32 (1)
Weight, g/mol:	235.96606
ΔH_f, kcal/mol:	-166.69
Dipole, Da:	2.25
IP(EA), eV:	-9.11(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-sulfooxypropyl hydrogen sulfate

Drug info:

PubChemData

Smile

CCC(CC)C(NC(=O)C)N1C[C@@H](C[C@@H]1C(=O)OCC)C=CC

DOS

IR

Vibrations