Geometry & MOs

Info

ID:	216300
PubChem CID:	85086015
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	4.62
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfinyl-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2CCNC2C(=O)O

DOS

IR

Vibrations