Geometry & MOs

Info

ID:	200305
PubChem CID:	79376426
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	266.120132
ΔH_f, kcal/mol:	42.43
Dipole, Da:	4.11
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2=CC=CC(=C2)COC

DOS

IR

Vibrations