Geometry & MOs

Info

ID:	54366
PubChem CID:	17136998
Reduced:	BrO2S2N4H23C25 (1)
Stoich.:	AB2C2D4E23F25 (1)
Weight, g/mol:	518.042015
ΔH_f, kcal/mol:	44.3
Dipole, Da:	5.91
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3SCC4=CC(=CC=C4)Br

DOS

IR

Vibrations