Geometry & MOs

Info

ID:	280734
PubChem CID:	103851038
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	318.107185
ΔH_f, kcal/mol:	-161.11
Dipole, Da:	4.03
IP(EA), eV:	-9.03(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC(CCO)COC

DOS

IR

Vibrations