Geometry & MOs

Info

ID:	123485
PubChem CID:	50849949
Reduced:	FNSH10C17 (1)
Stoich.:	ABCD10E17 (1)
Weight, g/mol:	426.020784
ΔH_f, kcal/mol:	43.18
Dipole, Da:	1.82
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations