Geometry & MOs

Info

ID:	143638
PubChem CID:	53240559
Reduced:	OC15H25 (2)
Stoich.:	AB15C25 (2)
Weight, g/mol:	422.073488
ΔH_f, kcal/mol:	-166.72
Dipole, Da:	3.45
IP(EA), eV:	-9.03(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[(2,6-dichlorophenyl)methyl]-5-(6-methoxypyridin-3-yl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@H]([C@@]5(C)CO)O)C)C)C2[C@H]1C)C)C

DOS

IR

Vibrations