Geometry & MOs

Info

ID:	284758
PubChem CID:	104069008
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	4.68
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)NC(=O)CSC2=CC=C(C=C2)CO

DOS

IR

Vibrations