Geometry & MOs

Info

ID:	358415
PubChem CID:	127295960
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	5.05
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)N(C)CC2CCCOC2

DOS

IR

Vibrations