Geometry & MOs

Info

ID:	121532
PubChem CID:	50772318
Reduced:	OSN6C25H36 (1)
Stoich.:	ABC6D25E36 (1)
Weight, g/mol:	484.242059
ΔH_f, kcal/mol:	13.92
Dipole, Da:	5.16
IP(EA), eV:	-8.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N3C(=N2)SC(=N3)N(C)CC(=O)NC4CCCCCC4)NC(C)(C)C

DOS

IR

Vibrations