Geometry & MOs

Info

ID:	278045
PubChem CID:	103832960
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	274.090662
ΔH_f, kcal/mol:	-36.92
Dipole, Da:	4.44
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

COC1CC(NC1)C(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations