Geometry & MOs

Info

ID:	135422
PubChem CID:	51869777
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	420.074839
ΔH_f, kcal/mol:	-234.3
Dipole, Da:	4.91
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@]3(C[C@@H](CC(C3)(C)C)C)NC2=O

DOS

IR

Vibrations