Geometry & MOs

Info

ID:	369979
PubChem CID:	127337030
Reduced:	BrON5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	379.124901
ΔH_f, kcal/mol:	19.08
Dipole, Da:	4.64
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations