Geometry & MOs

Info

ID:	30157
PubChem CID:	840345
Reduced:	SN4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	116.6
Dipole, Da:	5.28
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(morpholin-4-ylcarbamothioyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC=NC=C3

DOS

IR

Vibrations