Geometry & MOs

Info

ID:	342113
PubChem CID:	127264826
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	4.7
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-[3-(4-ethoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)SC(=O)N(C)C)C#N

DOS

IR

Vibrations