Geometry & MOs

Info

ID:	371367
PubChem CID:	127345979
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	5.46
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-4-yloxy)-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC(=CC=C2)NC(=O)C3=NC(=NC=C3)N4CCCC4

DOS

IR

Vibrations