Geometry & MOs

Info

ID:	159157
PubChem CID:	57264265
Reduced:	NO2C10H13 (3)
Stoich.:	AB2C10D13 (3)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	-207.07
Dipole, Da:	2.45
IP(EA), eV:	-8.66(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4S)-4-butan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]-2,5-dimethylbenzonitrile

Drug info:

PubChemData

Smile

C[C@](CNC(=O)OC(C)(C)C)(COCC1=CC=CC=C1)[C@](CC2=CC=CC=C2)(C(=O)NC)N3C(=CC=C3O)O

DOS

IR

Vibrations