Geometry & MOs

Info

ID:	121537
PubChem CID:	50772568
Reduced:	OSF2N6C24H26 (1)
Stoich.:	ABC2D6E24F26 (1)
Weight, g/mol:	510.221324
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	6.23
IP(EA), eV:	-8.48(-0.97)
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-ethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(N=C2N1N=C(S2)N(C)CC(=O)NCC3=CC=CC=C3F)C4=CC=C(C=C4)F

DOS

IR

Vibrations