Geometry & MOs

Info

ID:	273192
PubChem CID:	103770661
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	323.122501
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	4.99
IP(EA), eV:	-9.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-ethyl-2-hydroxypentyl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CC=C(C=C1)C(=O)N)O

DOS

IR

Vibrations