Geometry & MOs

Info

ID:	68308
PubChem CID:	46508162
Reduced:	O4N5H23C26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	5.03
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=CC=C(C=C4)CN5C=NC=N5

DOS

IR

Vibrations