Geometry & MOs

Info

ID:	160460
PubChem CID:	57309808
Reduced:	O2S2N6C7H8 (1)
Stoich.:	A2B2C6D7E8 (1)
Weight, g/mol:	410.08962
ΔH_f, kcal/mol:	99.08
Dipole, Da:	5.23
IP(EA), eV:	-10.06(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-dimethoxypyrimidin-2-yl)methylcarbamoylsulfamoylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CN1C(=CN=C1CC(C2=NN=NS2)S)[N+](=O)[O-]

DOS

IR

Vibrations