Geometry & MOs

Info

ID:	245290
PubChem CID:	99443257
Reduced:	F3O3N5C23H24 (1)
Stoich.:	A3B3C5D23E24 (1)
Weight, g/mol:	453.104165
ΔH_f, kcal/mol:	-240.1
Dipole, Da:	8.81
IP(EA), eV:	-9.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

DOS

IR

Vibrations