Geometry & MOs

Info

ID:	164556
PubChem CID:	74415932
Reduced:	F2O2N4C20H29 (1)
Stoich.:	A2B2C4D20E29 (1)
Weight, g/mol:	452.186869
ΔH_f, kcal/mol:	-109.94
Dipole, Da:	13.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817154
Charge, e:	1

Chem-info

IUPAC name:

[6-(2,6-dimethylmorpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1CC2C(C1)NNC2C[NH2+]CC3(CCCN(C3=O)CC4=C(C(=CC=C4)F)F)O

DOS

IR

Vibrations