Geometry & MOs

Info

ID:	263597
PubChem CID:	103381053
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.060569
ΔH_f, kcal/mol:	43.56
Dipole, Da:	4.46
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(3-methylsulfanylpropylamino)-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C(=NS2)N)C3=CC=CC=C3

DOS

IR

Vibrations