Geometry & MOs

Info

ID:	244350
PubChem CID:	99344225
Reduced:	S2N3O6C21H23 (1)
Stoich.:	A2B3C6D21E23 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	8.76
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dimethyl-5-[[2-(propylsulfonylamino)benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2OCC3=CSC=N3)OC

DOS

IR

Vibrations