Geometry & MOs

Info

ID:	342996
PubChem CID:	127266159
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	3.77
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-2-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1CC[C@H]([C@H]1C2=CC=CC=C2)C(=O)NC3=NC=C(S3)COC

DOS

IR

Vibrations