Geometry & MOs

Info

ID:	10180
PubChem CID:	98594
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-121.79
Dipole, Da:	8.17
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

DOS

IR

Vibrations