Geometry & MOs

Info

ID:	54526
PubChem CID:	17388826
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	332.038627
ΔH_f, kcal/mol:	-222.14
Dipole, Da:	2.28
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)COC(=O)C

DOS

IR

Vibrations