Geometry & MOs

Info

ID:	407331
PubChem CID:	135079847
Reduced:	S2O3N5C17H25 (1)
Stoich.:	A2B3C5D17E25 (1)
Weight, g/mol:	428.155849
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	2.58
IP(EA), eV:	-8.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(tritylamino)ethyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C=NC(=S)C2=C(N=C(S2)N3CCOCC3)N4CCOCC4

DOS

IR

Vibrations