Geometry & MOs

Info

ID:	34259
PubChem CID:	7890553
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	335.082744
ΔH_f, kcal/mol:	-206.42
Dipole, Da:	6.28
IP(EA), eV:	-8.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations