Geometry & MOs

Info

ID:	77507
PubChem CID:	49649840
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	392.080633
ΔH_f, kcal/mol:	-113.09
Dipole, Da:	2.37
IP(EA), eV:	-9.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-oxo-4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]butanenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCCC(=O)C(C#N)C(=O)C2CCC2

DOS

IR

Vibrations