Geometry & MOs

Info

ID:	147284
PubChem CID:	53786939
Reduced:	N3O9C21H29 (1)
Stoich.:	A3B9C21D29 (1)
Weight, g/mol:	344.084908
ΔH_f, kcal/mol:	-386.82
Dipole, Da:	4.19
IP(EA), eV:	-9.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-chlorophenyl)sulfonyl-2-methylnon-4-enoic acid

Drug info:

PubChemData

Smile

CCC(=O)[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)CC)COC(=O)CC)OC(=O)CC)O

DOS

IR

Vibrations