Geometry & MOs

Info

ID:	26883
PubChem CID:	801986
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	344.083078
ΔH_f, kcal/mol:	15.84
Dipole, Da:	5.38
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O

DOS

IR

Vibrations