Geometry & MOs

Info

ID:	123486
PubChem CID:	50849968
Reduced:	SCl2N2O4H16C18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	305.963269
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	9.31
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(acetylcarbamothioylamino)-3,5-dichlorobenzoic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)C(=O)O)Cl

DOS

IR

Vibrations