Geometry & MOs

Info

ID:	273665
PubChem CID:	103771643
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	256.03402
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	6.36
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCCCCC(=O)NCC(C1=CSC=C1)O

DOS

IR

Vibrations