Geometry & MOs

Info

ID:	358107
PubChem CID:	127295652
Reduced:	O2S2N5C15H21 (1)
Stoich.:	A2B2C5D15E21 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	4.33
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations