Geometry & MOs

Info

ID:	159535
PubChem CID:	57288427
Reduced:	S2N5O9C23H29 (1)
Stoich.:	A2B5C9D23E29 (1)
Weight, g/mol:	336.107854
ΔH_f, kcal/mol:	-299.83
Dipole, Da:	4.77
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-benzyl-1,3-thiazol-4-yl)methylamino]ethyl]-1-methyl-1-sulfanylurea

Drug info:

PubChemData

Smile

CC(CC(=O)OC(C)(C)C)ON=C(C1=CSC(=N1)N)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O

DOS

IR

Vibrations