Geometry & MOs

Info

ID:	45653
PubChem CID:	10516099
Reduced:	O2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	269.035794
ΔH_f, kcal/mol:	54.8
Dipole, Da:	6.66
IP(EA), eV:	-9.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylcarbamoylsulfanyl)benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)C2=NNC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations