Geometry & MOs

Info

ID:	289456
PubChem CID:	104355265
Reduced:	ClN4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	7.53
Dipole, Da:	3.27
IP(EA), eV:	-10.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(pyridin-4-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C4=NC(=NC(=N4)Cl)N

DOS

IR

Vibrations