Geometry & MOs

Info

ID:	362549
PubChem CID:	127308170
Reduced:	FO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	383.119815
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	7.02
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCOC(C2)CN3C=CC=N3)F

DOS

IR

Vibrations