Geometry & MOs

Info

ID:	29445
PubChem CID:	833863
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	3.91
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylphenyl)carbamothioyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations