Geometry & MOs

Info

ID:	309850
PubChem CID:	126562257
Reduced:	BrF3O3N5C29H29 (1)
Stoich.:	AB3C3D5E29F29 (1)
Weight, g/mol:	275.145619
ΔH_f, kcal/mol:	-185.83
Dipole, Da:	7.07
IP(EA), eV:	-8.96(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(3-pyridin-4-ylbutyl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CCC(C=C2)C(=O)NCC3CCCO3)C)NC(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C(F)(F)F

DOS

IR

Vibrations