Geometry & MOs

Info

ID:	34301
PubChem CID:	7890679
Reduced:	SN3O6C17H23 (1)
Stoich.:	AB3C6D17E23 (1)
Weight, g/mol:	347.082744
ΔH_f, kcal/mol:	-213.15
Dipole, Da:	7.57
IP(EA), eV:	-10.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-phenylprop-2-enyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@](C)(C#N)C(C)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC

DOS

IR

Vibrations