Geometry & MOs

Info

ID:	358469
PubChem CID:	127296065
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	3.38
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)NCCC(=O)N2CCN(CC2)C

DOS

IR

Vibrations