Geometry & MOs

Info

ID:	195992
PubChem CID:	78761673
Reduced:	NO2S2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	2.58
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)CSCC2=CC=CO2

DOS

IR

Vibrations