Geometry & MOs

Info

ID:	343601
PubChem CID:	127266777
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	295.096618
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	1.57
IP(EA), eV:	-9.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)butanamide

Drug info:

PubChemData

Smile

CC1(CCCC(C1)(C(=O)NCCC2=CC=CC=N2)O)C

DOS

IR

Vibrations