Geometry & MOs

Info

ID:	135423
PubChem CID:	51869884
Reduced:	O2S3N4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	420.074839
ΔH_f, kcal/mol:	26.76
Dipole, Da:	5.35
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NN=C(S3)NC[C@@H]4CCCO4

DOS

IR

Vibrations