Geometry & MOs

Info

ID:	327003
PubChem CID:	126688836
Reduced:	N3O6C23H31 (1)
Stoich.:	A3B6C23D31 (1)
Weight, g/mol:	209.072179
ΔH_f, kcal/mol:	-268.39
Dipole, Da:	3.08
IP(EA), eV:	-9.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-oxopentane-3-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)N([C@H]1CCO[C@@H]2N(C1=O)C(CO2)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C(=O)O

DOS

IR

Vibrations