Geometry & MOs

Info

ID:	29457
PubChem CID:	833918
Reduced:	ClFSN2O2H10C16 (1)
Stoich.:	ABCD2E2F10G16 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	7.0
IP(EA), eV:	-9.03(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethylphenyl)carbamothioyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations