Geometry & MOs

Info

ID:	31814
PubChem CID:	3719593
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	33.88
Dipole, Da:	5.3
IP(EA), eV:	-8.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations