Geometry & MOs

Info

ID:	268927
PubChem CID:	103602263
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-125.88
Dipole, Da:	5.67
IP(EA), eV:	-9.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)COC1=CC=CC=C1C#N

DOS

IR

Vibrations