Geometry & MOs

Info

ID:	149922
PubChem CID:	53789604
Reduced:	SO5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	-144.82
Dipole, Da:	9.27
IP(EA), eV:	-9.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyrrolidin-1-ylsulfonyl-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OS(=O)(=O)C1=CC=CC(=C1)OCC#CC

DOS

IR

Vibrations