Geometry & MOs

Info

ID:	363845
PubChem CID:	127313502
Reduced:	F2O2N3C21H27 (1)
Stoich.:	A2B2C3D21E27 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-138.99
Dipole, Da:	6.6
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CC3C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations