Geometry & MOs

Info

ID:	339469
PubChem CID:	127261402
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	393.081698
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	4.58
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[methyl-(4-sulfamoylphenyl)carbamothioyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N(C)N2C(=O)CCC2=O

DOS

IR

Vibrations