Geometry & MOs

Info

ID:	431795
PubChem CID:	135171901
Reduced:	F3O3N4C25H35 (1)
Stoich.:	A3B3C4D25E35 (1)
Weight, g/mol:	516.277027
ΔH_f, kcal/mol:	-272.22
Dipole, Da:	4.39
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[cyclohexyl(2-methylpropyl)amino]-5-(4-ethoxy-4-oxobutan-2-yl)anilino]-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)NC3=NC=C(N3)C(F)(F)F

DOS

IR

Vibrations