Geometry & MOs

Info

ID:	362071
PubChem CID:	127305683
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-150.71
Dipole, Da:	4.2
IP(EA), eV:	-9.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,3-trimethyl-3-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)urea

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CC(OCC2C)C3=CC=CC=C3Cl

DOS

IR

Vibrations